SCHEMBL5084405

SCHEMBL5084405

N[C@@H](CCC(=O)OC(=O)c1ccccc1)C(=O)OC(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
SLC1A5 Q15758 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
PRSS1 P07477 1/20 0.41
CTSG P08311 1/20 0.41
CTRB1 P17538 1/20 0.41
CMA1 P23946 1/20 0.41
LMNA P02545 2/20 0.40
F2 P00734 1/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 3/20 0.39
TP53 P04637 1/20 0.39
LTA4H P09960 3/20 0.38

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
SCHEMBL5084403 1.00 ALDH1A1 (0.44) ALDH1A1SLC1A5TDP1KMT2AMAPK1
SCHEMBL28374594 0.98 ALDH1A1 (0.42) ALDH1A1SLC1A5TDP1KMT2AMAPK1
Hydrochloric Acid SCHEMBL31375791 0.98 ALDH1A1 (0.42) ALDH1A1SLC1A5TDP1KMT2AMAPK1
SCHEMBL10390365 0.94 ALDH1A1 (0.41) ALDH1A1SLC1A5TDP1KMT2AMAPK1
SCHEMBL27551719 0.94 ALDH1A1 (0.41) ALDH1A1SLC1A5TDP1KMT2AMAPK1
SCHEMBL28170754 0.91 ALDH1A1 (0.41) ALDH1A1SLC1A5TDP1KMT2AMAPK1
SCHEMBL1997087 0.89 SLC1A5 (0.48) ALDH1A1SLC1A5KMT2APRSS1CTSG
SCHEMBL1997086 0.89 ALDH1A1 (0.45) ALDH1A1SLC1A5TDP1KMT2AMAPK1
SCHEMBL9925277 0.89 SLC1A5 (0.48) ALDH1A1SLC1A5KMT2APRSS1CTSG
SCHEMBL5078447 0.86 LMNA (0.46) ALDH1A1SLC1A5KMT2ASLC6A3PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107442038-B Ultraviolet response amino acid surfactant and preparation method thereof 广州天赐高新材料股份有限公司 2019-08-09 CN claimed
CN-109553619-A A kind of preparation method of methotrexate (MTX) 北京斯利安药业有限公司 2019-04-02 CN claimed
CN-107442038-A Ultraviolet response amino acid surfactant and preparation method thereof 广州天赐高新材料股份有限公司 2017-12-08 CN claimed
US-20170223990-A1 FOOD PRESERVATION WITH FOLATES UNIVERSITY OF CALCUTTA (IN) 2017-08-10 US claimed
CN-106431957-A Method for synthesizing N-benzoyl glutamic acid being proglumide drug intermediate 厦门莱恩斯特信息科技有限公司 2017-02-22 CN claimed
CN-106279174-A A kind of preparation technology of folic acid 黄冈华阳药业有限公司 2017-01-04 CN claimed
CN-1097459-C Diazepino-indoles as phosphodiesterase IV inhibitors JOUVEINAL INST RECH (FR) 2003-01-01 CN claimed
US-6395077-B1 INKS WITH BENZOYLBENZOIC ACID AND COLORS XEROX CORPORATION 2002-05-28 US claimed
CN-115044253-B Oily organic pigment color paste, preparation method and application thereof, lipstick and lip gloss containing color paste 上海杰立化妆品科技有限公司 2023-06-02 CN disclosed
CN-107442038-B Ultraviolet response amino acid surfactant and preparation method thereof 广州天赐高新材料股份有限公司 2019-08-09 CN disclosed
CN-109553619-A A kind of preparation method of methotrexate (MTX) 北京斯利安药业有限公司 2019-04-02 CN disclosed
CN-107442038-A Ultraviolet response amino acid surfactant and preparation method thereof 广州天赐高新材料股份有限公司 2017-12-08 CN disclosed
US-20170223990-A1 FOOD PRESERVATION WITH FOLATES UNIVERSITY OF CALCUTTA (IN) 2017-08-10 US disclosed
CN-104189916-B Multimer alhumin nanospheres, and preparation method and application thereof 深圳先进技术研究院 2017-05-10 CN disclosed
WO-2000023448-A1 NOVEL PTERIN ANTINEOPLASTIC AGENTS MOHENO PHILLIP B B (US) 2000-04-27 WO disclosed
CN-1049215-C Process for preparing benzoquinazoline thymidylate synthase inhibitors WELLOCOME FOUNDATION LTD (GB) 2000-02-09 CN disclosed
CN-1160352-A Diaza * -oxindoles as phosphodiesterase IV inhibitors JOUVEINAL INST RECH (FR) 1997-09-24 CN disclosed
EP-0111529-B1 MEDICINE FOR THE TREATMENT OF THE NEOPLAZIC DISEASE 1986-09-10 EP disclosed
EP-0111529-A1 MEDICINE FOR THE TREATMENT OF THE NEOPLAZIC DISEASE INTREPRINDEREA DE MEDICAMENTE' BIOFARM' (RO) 1984-06-27 EP disclosed
WO-1984000005-A1 MEDICINE FOR THE TREATMENT OF THE NEOPLAZIC DISEASE BIOFARM FAB MEDICAMENT (RO) 1984-01-05 WO disclosed