SCHEMBL9656236

SCHEMBL9656236

CC[C@H](Oc1ccc(O)cc1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.65
PPARG P37231 18/20 0.55
PPARA Q07869 17/20 0.55

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
SCHEMBL433427 1.00 SMN1; SMN2 (0.65) SMN1; SMN2PPARGPPARA
SCHEMBL4820511 0.95 SMN1; SMN2 (0.59) SMN1; SMN2PPARGPPARA
SCHEMBL5405854 0.92 SMN1; SMN2 (0.60) SMN1; SMN2PPARGPPARA
SCHEMBL11550284 0.87 SMN1; SMN2 (0.67) SMN1; SMN2PPARGPPARA
SCHEMBL8935859 0.85 SMN1; SMN2 (0.70) SMN1; SMN2PPARGPPARA
SCHEMBL8935844 0.85 SMN1; SMN2 (0.70) SMN1; SMN2PPARGPPARA
SCHEMBL1171344 0.85 SMN1; SMN2 (0.70) SMN1; SMN2PPARGPPARA
SCHEMBL21991991 0.85 PPARG (0.66) SMN1; SMN2PPARGPPARA
SCHEMBL1745447 0.85 PPARG (0.66) SMN1; SMN2PPARGPPARA
SCHEMBL16242008 0.85 PPARG (0.66) SMN1; SMN2PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5108916-A Racemic mixtures RHONE-POULENC RORER, S.A. (FR) 1992-04-28 US disclosed
EP-0407033-A2 Lipase and isozymes, notably of Candida rugosa, and their use RHONE-POULENC INC. (US) 1991-01-09 EP disclosed
WO-1990015146-A1 ENZYMES AND THEIR USE RHONE-POULENC INC. (US) 1990-12-13 WO disclosed