SCHEMBL2221986

SCHEMBL2221986

CCC[C@@H](CNCCc1ccccc1)CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 1/20 0.48
▸ ERAP2 Q6P179 1/20 0.48
▸ SIGMAR1 Q99720 1/20 0.47
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ KCNH2 Q12809 1/20 0.44
▸ ADRB2 P07550 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ HTT P42858 1/20 0.42
▸ HPGD P15428 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
SCHEMBL2221988 1.00 ANPEP (0.48) ANPEPERAP2SIGMAR1CYP1A2CYP2C9
SCHEMBL2225811 0.84 ANPEP (0.47) ANPEPERAP2ADRB2MEN1KMT2A
SCHEMBL2224042 0.84 ANPEP (0.47) ANPEPERAP2ADRB2MEN1KMT2A
SCHEMBL4076046 0.83 MMP12 (0.49) CYP1A2CYP2C9CYP2C19POLBMEN1
SCHEMBL29657593 0.81 OPRK1 (0.53) SIGMAR1CYP1A2CYP2C9CYP2C19POLB
SCHEMBL4897397 0.76 ALDH1A1 (0.58) ANPEPERAP2SIGMAR1CYP1A2CYP2C9
SCHEMBL22231651 0.75 S1PR1 (0.42) MEN1KMT2ATDP1S1PR2S1PR1
SCHEMBL10765117 0.75 MAPT (0.42) POLBMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7195674 0.74 MMP12 (0.50) MEN1KMT2ASMN1; SMN2HTTHPGD
SCHEMBL13675293 0.74 ANPEP (0.54) ANPEPERAP2SIGMAR1KCNH2ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011086566-A1 METHOD OF RESOLUTION OF (RS) - 1, 1 ' - BI - 2 - NAPHTHOL FOR OBTAINING ENANTIOMERIC PURE I.E. (S) - (-) \" 1, 1 ' \"BI - 2 -NAPHTHOL AND/OR (R) - ( ) - 1, 1 ' - BI - 2 - NAPHTHOL VIA CO - CRYSTAL FORMATION WITH OPTICALLY ACTIVE DERIVATIVES OF GAMMA -AMINO ACIDS LUPIN LIMITED (IN) 2011-07-21 — — WO claimed
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