SCHEMBL8995845

SCHEMBL8995845

C=CC[C@H](Nc1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.51
▸ TGM2 P21980 1/20 0.43
▸ MAPT P10636 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ MITF O75030 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ UBE2I P63279 1/20 0.40
▸ SAE1 Q9UBE0 1/20 0.40
▸ UBA2 Q9UBT2 1/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ GAA P10253 2/20 0.39
▸ POLB P06746 1/20 0.38
▸ FOLH1 Q04609 1/20 0.38
▸ PPARG P37231 1/20 0.37
▸ FPR2 P25090 2/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.37

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
SCHEMBL6984911 0.86 CYP2C19 (0.41) CYP2C19MAPTCA12CA9GAA
SCHEMBL9980454 0.81 GAA (0.45) CYP2C19MAPTRAB9ANPSR1MITF
SCHEMBL4974275 0.81 GAA (0.45) CYP2C19MAPTRAB9ANPSR1MITF
SCHEMBL7875843 0.78 FOLH1 (0.40) CYP2C19TGM2MAPTGAAPOLB
SCHEMBL1128808 0.78 FOLH1 (0.40) CYP2C19TGM2MAPTGAAPOLB
SCHEMBL344918 0.77 MME (0.45) MAPTRAB9ANPSR1LMNACA12
SCHEMBL3488827 0.77 MME (0.45) MAPTRAB9ANPSR1LMNACA12
SCHEMBL344919 0.77 MME (0.45) MAPTRAB9ANPSR1LMNACA12
SCHEMBL11345309 0.77 CYP2C19 (0.46) CYP2C19TGM2MAPTRAB9ANPSR1
SCHEMBL12637385 0.77 CYP2C19 (0.54) CYP2C19MAPTLMNAPOLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0494716-B1 Enzyme-catalysed preparation of optically active carboxylic acids DSM NV (NL) 1996-08-28 — — EP disclosed
US-5248608-A Enzyme catalyzed stereospecific hdyrolysis DSM N.V. (NL) 1993-09-28 — — US disclosed
EP-0494716-A2 Enzyme-catalysed preparation of optically active carboxylic acids DSM N.V. (NL) 1992-07-15 — — EP disclosed
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