SCHEMBL2769597

SCHEMBL2769597

C[C@@](O)(C(=O)O)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 2/20 0.47
MAPT P10636 1/20 0.47
XBP1 P17861 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
KCNN4 O15554 5/20 0.47
HSD11B1 P28845 1/20 0.44
USP2 O75604 1/20 0.41
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
JAK2 O60674 3/20 0.39
BCL2L1 Q07817 1/20 0.39
BAD Q92934 1/20 0.39
KCNE1 P15382 1/20 0.39
KCNQ1 P51787 1/20 0.39
CYP2D6 P10635 1/20 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
SCHEMBL2769055 1.00 RAB9A (0.47) RAB9AMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL29226498 1.00 RAB9A (0.47) RAB9AMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL11841950 0.94 BCL2L1 (0.48) RAB9AMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL30434274 0.83 CES2 (0.50) RAB9ANPC1HTTCES2CES1
SCHEMBL22937461 0.83 RAB9A (0.47) RAB9AMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL284962 0.80 ESR1 (0.52) CYP2D6CYP2C9HIF1A
SCHEMBL1421745 0.80 APP (0.49) RAB9AMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL7866065 0.80 TSHR (0.48) RAB9AMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL5172480 0.80 ESR1 (0.52) CYP2D6CYP2C9HIF1A
SCHEMBL637766 0.80 ESR1 (0.52) CYP2D6CYP2C9HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040053382-A1 Production of alpha-hydroxy-carboxylic acids using a coupled enzyme system EXCELSYN MOLECULAR DEVELOPMENT LIMITED (GB) 2004-03-18 US claimed
EP-1639119-B1 METHOD FOR THE MICROBIOLOGICAL ISOMERISATION OF ALPHA-HYDROXY CARBOXYLIC ACIDS BASF SE (DE) 2010-04-21 EP disclosed
EP-1639119-A1 METHOD FOR THE MICROBIOLOGICAL ISOMERISATION OF ALPHA-HYDROXY CARBOXYLIC ACIDS BASF AKTIENGESELLSCHAFT (DE) 2006-03-29 EP disclosed
WO-2004111257-A1 METHOD FOR THE MICROBIOLOGICAL ISOMERISATION OF ALPHA-HYDROXY CARBOXYLIC ACIDS BASF AKTIENGESELLSCHAFT (DE) 2004-12-23 WO disclosed