SCHEMBL28400574

SCHEMBL28400574

CCCCCCCCCCCCCCCC(O)CC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 4/20 0.71
▸ MAPT P10636 4/20 0.71
▸ LMNA P02545 4/20 0.71
▸ CYP1A2 P05177 3/20 0.71
▸ GMNN O75496 3/20 0.71
▸ NPSR1 Q6W5P4 3/20 0.71
▸ MEN1 O00255 3/20 0.71
▸ KMT2A Q03164 3/20 0.71
▸ TP53 P04637 3/20 0.71
▸ TSHR P16473 3/20 0.71
▸ HSP90AA1 P07900 2/20 0.71
▸ BLM P54132 2/20 0.71
▸ NR1H4 Q96RI1 2/20 0.71
▸ CYP2C9 P11712 2/20 0.71
▸ HIF1A Q16665 2/20 0.71
▸ GLA P06280 1/20 0.69
▸ PMP22 Q01453 1/20 0.69
▸ GPR84 Q9NQS5 4/20 0.58
▸ SLC25A20 O43772 3/20 0.54
▸ CYP2D6 P10635 2/20 0.54

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
SCHEMBL28715063 1.00 MAPK1 (0.71) MAPK1MAPTLMNACYP1A2GMNN
SCHEMBL22612677 1.00 MAPK1 (0.71) MAPK1MAPTLMNACYP1A2GMNN
SCHEMBL27768116 1.00 MAPK1 (0.71) MAPK1MAPTLMNACYP1A2GMNN
SCHEMBL28466494 1.00 MAPK1 (0.71) MAPK1MAPTLMNACYP1A2GMNN
SCHEMBL22635967 1.00 MAPK1 (0.71) MAPK1MAPTLMNACYP1A2GMNN
SCHEMBL25194019 1.00 MAPK1 (0.71) MAPK1MAPTLMNACYP1A2GMNN
Hydrochloric Acid SCHEMBL28715044 0.99 MAPK1 (0.69) MAPK1MAPTLMNACYP1A2GMNN
SCHEMBL25186738 0.99 CYP1A2 (0.70) MAPK1MAPTLMNACYP1A2GMNN
SCHEMBL22392373 0.89 CYP1A2 (0.62) MAPK1MAPTLMNACYP1A2GMNN
SCHEMBL17891419 0.88 MEN1 (0.71) MAPK1MAPTLMNACYP1A2GMNN

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114152706-A Method for simultaneously detecting various newborn screening metabolites in dried blood slices 上海义准生物有限公司 2022-03-08 — — CN claimed
CN-114076792-A Method for simultaneous detection of multiple metabolites using tandem mass spectrometry 上海市儿童医院 2022-02-22 — — CN claimed
CN-122017090-A Biomarker combination for screening heart failure pleural effusion, application, system, equipment and medium 内蒙古医科大学附属医院(内蒙古自治区心血管研究所) 2026-05-12 — — CN disclosed
CN-115295145-A Method, device and equipment for predicting hereditary metabolic diseases 国家卫生健康委科学技术研究所 2022-11-04 — — CN disclosed
CN-114152706-A Method for simultaneously detecting various newborn screening metabolites in dried blood slices 上海义准生物有限公司 2022-03-08 — — CN disclosed
CN-114076792-A Method for simultaneous detection of multiple metabolites using tandem mass spectrometry 上海市儿童医院 2022-02-22 — — CN disclosed
CN-111650314-A Kit and method for detecting genetic metabolic disease related substances by non-derivation method tandem mass spectrometry 深圳华大临床检验中心 2020-09-11 — — CN disclosed
CN-111100024-A Method for preparing stable isotope labeled acyl carnitine 南京谱利健生物技术有限公司 2020-05-05 — — CN disclosed
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