SCHEMBL24314080

SCHEMBL24314080

Cc1ccccc1-c1ccc(C(=O)N2CC(O)CC2C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 4/20 0.50
AVPR1A P37288 6/20 0.49
OXTR P30559 4/20 0.49
AVPR2 P30518 3/20 0.49
PIK3CD O00329 2/20 0.48
VHL P40337 1/20 0.45
SLC6A7 Q99884 1/20 0.45
GHSR Q92847 1/20 0.45
ATM Q13315 1/20 0.44
GRIN2B Q13224 1/20 0.41
CD274 Q9NZQ7 1/20 0.41

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
SCHEMBL19270360 1.00 FFAR2 (0.50) FFAR2AVPR1AOXTRAVPR2PIK3CD
SCHEMBL5477136 1.00 FFAR2 (0.50) FFAR2AVPR1AOXTRAVPR2PIK3CD
SCHEMBL29449381 1.00 FFAR2 (0.50) FFAR2AVPR1AOXTRAVPR2PIK3CD
SCHEMBL31156208 0.87 AVPR1A (0.49) FFAR2AVPR1AOXTRAVPR2PIK3CD
SCHEMBL28754781 0.87 PIK3CD (0.44) AVPR1AOXTRAVPR2PIK3CDVHL
SCHEMBL4424510 0.86 PIK3CD (0.52) FFAR2PIK3CDVHLSLC6A7ATM
SCHEMBL9028119 0.83 PIK3CD (0.61) PIK3CDVHLATM
SCHEMBL10469223 0.83 PIK3CD (0.61) PIK3CDVHLATM
SCHEMBL9028110 0.83 PIK3CD (0.61) PIK3CDVHLATM
SCHEMBL2459843 0.83 PIK3CD (0.61) PIK3CDVHLATM

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
EP-3252037-B1 PROCESS FOR THE PREPARATION OF (3Z,5S)-5-(HYDROXYMETHYL)-1-[(2´-METHYL-1,1´-BIPHENYL-4-YL)CARBONYL)PYRROLIDIN-3-ONE O-METHYLOXIME ObsEva SA (CH) 2022-03-09 EP disclosed