SCHEMBL8575846

SCHEMBL8575846

CCC(Oc1ccc(NC(=O)OC(C)(C)C)c(C(F)(F)F)c1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
PPARG P37231 9/20 0.43
PPARA Q07869 6/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 2/20 0.43
RXFP1 Q9HBX9 1/20 0.38
EPHX2 P34913 3/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
MAPK1 P28482 1/20 0.37
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL8463419 0.85 SMN1; SMN2 (0.59) SMN1; SMN2PPARGPPARAPOLBKMT2A
SCHEMBL6548321 0.76 SMN1; SMN2 (0.56) SMN1; SMN2PPARGPPARA
SCHEMBL9616847 0.76 SMN1; SMN2 (0.56) SMN1; SMN2PPARGPPARA
SCHEMBL23754109 0.76 SMN1; SMN2 (0.56) SMN1; SMN2PPARGPPARA
SCHEMBL29936845 0.76 SMN1; SMN2 (0.56) SMN1; SMN2PPARGPPARA
SCHEMBL8524271 0.76 HPGD (0.46) SMN1; SMN2LMNAPOLBHSD17B10PDE3B
SCHEMBL3829814 0.75 LMNA (0.50) SMN1; SMN2LMNAPOLBRXFP1PDE3B
Hydrochloric Acid SCHEMBL6547942 0.75 SMN1; SMN2 (0.55) SMN1; SMN2PPARGPPARA
SCHEMBL4439565 0.75 RXFP1 (0.54) SMN1; SMN2LMNAPOLBRXFP1TSHR
SCHEMBL8772025 0.75 LMNA (0.52) SMN1; SMN2LMNAPOLBRXFP1PDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912175-A4 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1999-09-08 EP disclosed
EP-0912175-A1 FIBRINOGEN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1999-05-06 EP disclosed
US-5854245-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1998-12-29 US disclosed
WO-1998000134-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-01-08 WO disclosed