SCHEMBL4012679

SCHEMBL4012679

COC(=O)Cc1ccc2c(c1)CN(C(=O)O)CCO2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.45
CREBBP Q92793 3/20 0.42
RYR2 Q92736 1/20 0.41
GPR142 Q7Z601 5/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FAAH O00519 1/20 0.40
LIPE Q05469 1/20 0.40
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39
PIK3CA P42336 1/20 0.39

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
SCHEMBL4521074 0.79 RAB9A (0.52) RYR2SMN1; SMN2FAAHMAPTALDH1A1
SCHEMBL30730257 0.77 CTNNB1 (0.47) SMN1; SMN2ALDH1A1GAAGFER
SCHEMBL19926744 0.75 SMN1; SMN2 (0.57) SMN1; SMN2MAPTHTTALDH1A1GAA
SCHEMBL3789225 0.74 RIPK1 (0.46) RIPK1CREBBPGPR142MAPTHTT
SCHEMBL16004253 0.73 SMN1; SMN2 (0.54) RIPK1CREBBPRYR2GPR142SMN1; SMN2
SCHEMBL31409466 0.72 SMN1; SMN2 (0.51) SMN1; SMN2MAPTHTTALDH1A1GAA
SCHEMBL3715690 0.72 RIPK1 (0.44) RIPK1CREBBPGPR142ALDH1A1PIK3CA
SCHEMBL26087589 0.71 CHRM2 (0.48) SMN1; SMN2LIPEMAPTALDH1A1GAA
SCHEMBL16004138 0.71 SIGMAR1 (0.48) GPR142FAAHMAPT
SCHEMBL22993336 0.71 RIPK1 (0.49) RIPK1CREBBPSMN1; SMN2PIK3CA

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
EP-2044017-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2009-04-08 EP disclosed
WO-2007146838-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2007-12-21 WO disclosed