SCHEMBL8945512

SCHEMBL8945512

CC(C)[C@@H](COCc1ccccc1)NC(=O)C(F)(F)C(O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.47
PPARA Q07869 2/20 0.47
KLK5 Q9Y337 2/20 0.47
BCL2 P10415 1/20 0.46
PTPN1 P18031 3/20 0.44
PPARG P37231 1/20 0.44
CTSS P25774 1/20 0.43
MAOB P27338 1/20 0.42
YAP1 P46937 2/20 0.42
PSEN1 P49768 2/20 0.42
PSEN2 P49810 2/20 0.42
APH1B Q8WW43 2/20 0.42
NCSTN Q92542 2/20 0.42
APH1A Q96BI3 2/20 0.42
PSENEN Q9NZ42 2/20 0.42
LTA4H P09960 1/20 0.42

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
SCHEMBL8945614 1.00 REN (0.47) RENPPARAKLK5BCL2PTPN1
SCHEMBL7417399 0.95 REN (0.47) RENPPARAKLK5BCL2PTPN1
SCHEMBL7418529 0.93 REN (0.47) RENPPARAKLK5BCL2PTPN1
SCHEMBL7421310 0.92 REN (0.49) RENPPARAKLK5BCL2PTPN1
SCHEMBL8361267 0.92 REN (0.49) RENPPARAKLK5PPARGCTSS
SCHEMBL8093075 0.91 PPARA (0.48) RENPPARAKLK5BCL2PTPN1
SCHEMBL8945503 0.91 REN (0.49) RENKLK5BCL2PTPN1YAP1
SCHEMBL7331235 0.86 BCL2 (0.55) RENPPARAKLK5BCL2PTPN1
SCHEMBL8945246 0.85 CTSD (0.53) RENLTA4H
SCHEMBL9095899 0.85 CTSD (0.53) RENLTA4H

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
US-5559140-A VIRICIDES MERRELL PHARMACEUTICALS INC. (US) 1996-09-24 US disclosed
EP-0565631-B1 ANTI-VIRAL COMPOUNDS MERRELL PHARMA INC (US) 1996-09-18 EP disclosed
EP-0565631-A1 ANTI-VIRAL COMPOUNDS. MERRELL DOW PHARMA (US) 1993-10-20 EP disclosed
WO-1992012123-A1 ANTI-VIRAL COMPOUNDS MERRELL DOW PHARMACEUTICALS INC. (US) 1992-07-23 WO disclosed