SCHEMBL3394524

SCHEMBL3394524

CCC(=O)[C@H](C)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.47
SLC1A2 P43004 2/20 0.47
SLC1A1 P43005 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 4/20 0.47
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TSHR P16473 2/20 0.45
MAPK1 P28482 2/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8827334 1.00 SLC1A3 (0.47) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL31622487 0.97 SLC1A3 (0.45) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL20917421 0.86 SLC1A3 (0.45) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL20917423 0.86 SLC1A3 (0.45) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL19204835 0.84 SLC1A2 (0.50) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL138281 0.83 KMT2A (0.56) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL1706675 0.83 KMT2A (0.56) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL27757196 0.83 KMT2A (0.56) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL138280 0.83 KMT2A (0.56) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL394192 0.83 ALDH1A1 (0.49) SLC1A3SLC1A2SLC1A1KMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120158434-A Carbonyl reductase mutant and application thereof in synthesis of posaconazole intermediate 中国科学院天津工业生物技术研究所 2025-06-17 CN claimed
CN-119591481-A Method for synthesizing posaconazole intermediate (2S) -2-benzyloxy-3-pentanone 北京联本医药化学技术有限公司 2025-03-11 CN claimed
CN-118684567-A Method for synthesizing (2S) -2-benzyloxy-3-pentanone 安庆北化大科技园有限公司 2024-09-24 CN claimed
CN-112063680-B Biological catalysis preparation method of posaconazole intermediate (2S,3R) -2-benzyloxy-3-pentanol 甘肃皓天医药科技有限责任公司 2022-05-20 CN claimed
CN-112063680-A Biological catalysis preparation method of posaconazole intermediate (2S,3R) -2-benzyloxy-3-pentanol 甘肃皓天医药科技有限责任公司 2020-12-11 CN claimed
WO-2019077627-A1 A PROCESS FOR THE MANUFACTURE OF POSACONAZOLE METROCHEM API PVT LTD. (IN) 2019-04-25 WO claimed
CN-121496018-A Preparation method of N' - ((2S, 3S) -2- (benzyloxy) penta-3-yl) formylhydrazinium oxalate enzyme 张家口市格瑞高新技术有限公司 2026-02-10 CN disclosed
CN-120158434-B Carbonyl reductase mutant and application thereof in synthesis of posaconazole intermediate 中国科学院天津工业生物技术研究所 2025-09-02 CN disclosed
CN-120158434-A Carbonyl reductase mutant and application thereof in synthesis of posaconazole intermediate 中国科学院天津工业生物技术研究所 2025-06-17 CN disclosed
CN-120158434-A Carbonyl reductase mutant and application thereof in synthesis of posaconazole intermediate 中国科学院天津工业生物技术研究所 2025-06-17 CN disclosed
CN-119591481-A Method for synthesizing posaconazole intermediate (2S) -2-benzyloxy-3-pentanone 北京联本医药化学技术有限公司 2025-03-11 CN disclosed
CN-119591481-A Method for synthesizing posaconazole intermediate (2S) -2-benzyloxy-3-pentanone 北京联本医药化学技术有限公司 2025-03-11 CN disclosed
CN-118684567-A Method for synthesizing (2S) -2-benzyloxy-3-pentanone 安庆北化大科技园有限公司 2024-09-24 CN disclosed
CN-103193609-B Synthesizing process of (S)-2-benzyloxy-pentan-3-one ZHEJIANG PEGENT CHEMICAL CO., LTD. (CN) 2014-10-08 CN disclosed
CN-103936564-A Method for preparing (2S, 3R)-2-benzyloxy-3-pentanol as intermediate of posaconazole JINAN KANGHE MEDICAL TECHNOLOGY CO LTD 2014-07-23 CN disclosed
CN-103819321-A Preparation method of (S)-2- benzyloxy-3-pentanone TIANJIN CHEMIWAY BIOPHARMER TECH DEV CO LTD 2014-05-28 CN disclosed
CN-103819321-A Preparation method of (S)-2- benzyloxy-3-pentanone TIANJIN CHEMIWAY BIOPHARMER TECH DEV CO LTD 2014-05-28 CN disclosed
CN-103193609-A Synthesizing process of (S)-2-benzyloxy-pentan-3-one ZHEJIANG REGEN CHEMICAL CO LTD 2013-07-10 CN disclosed
CN-103193609-A Synthesizing process of (S)-2-benzyloxy-pentan-3-one ZHEJIANG REGEN CHEMICAL CO LTD 2013-07-10 CN disclosed
WO-2012003147-A1 ISOINDOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2012-01-05 WO disclosed