SCHEMBL27712656

SCHEMBL27712656

NC(=O)c1ccc(N2CCC(C(=O)O)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.54
USP2 O75604 1/20 0.53
AKR1C3 P42330 1/20 0.52
GPR119 Q8TDV5 1/20 0.52
CHRNA7 P36544 1/20 0.50
CHRNA10 Q9GZZ6 1/20 0.50
CHRNA9 Q9UGM1 1/20 0.50
HRH3 Q9Y5N1 1/20 0.49
SYK P43405 1/20 0.47
MAPT P10636 1/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP2C19 P33261 1/20 0.46
PRSS1 P07477 4/20 0.46
PRSS2 P07478 4/20 0.46
PRSS3 P35030 4/20 0.46
F10 P00742 3/20 0.46
ITGB3 P05106 3/20 0.46
ITGA2B P08514 3/20 0.46
NEK2 P51955 1/20 0.45
F2 P00734 2/20 0.44

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
SCHEMBL28789911 0.86 USP2 (0.70) NOTUMUSP2AKR1C3MAPTKDM4E
SCHEMBL2471787 0.84 NOTUM (0.49) NOTUMUSP2AKR1C3SYKMAPT
SCHEMBL2471785 0.84 NOTUM (0.49) NOTUMUSP2AKR1C3SYKMAPT
SCHEMBL1438476 0.83 KMT2A (0.60) NOTUMUSP2AKR1C3GPR119MAPT
SCHEMBL18871943 0.83 GPR119 (0.55) USP2GPR119CHRNA7CHRNA10CHRNA9
SCHEMBL2263367 0.83 GPR119 (0.55) USP2GPR119CHRNA7CHRNA10CHRNA9
SCHEMBL3570102 0.83 NOTUM (0.57) NOTUMUSP2AKR1C3MAPTKDM4E
SCHEMBL11962881 0.83 GPR119 (0.55) USP2GPR119CHRNA7CHRNA10CHRNA9
SCHEMBL14507628 0.83 NOTUM (0.57) NOTUMKDM4ECYP2C19
Hydrochloric Acid SCHEMBL3571310 0.81 NOTUM (0.56) NOTUMUSP2AKR1C3MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101107218-A Novel dicarboxylic acid derivatives BIOPROJET SOC CIV (FR) 2008-01-16 CN claimed
CN-101107218-A Novel dicarboxylic acid derivatives BIOPROJET SOC CIV (FR) 2008-01-16 CN disclosed