SCHEMBL8736231

SCHEMBL8736231

CCOC(=O)C(F)(F)C(O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.49
PTPN1 P18031 6/20 0.48
KLK5 Q9Y337 2/20 0.48
REN P00797 2/20 0.47
LTA4H P09960 1/20 0.46
YAP1 P46937 2/20 0.46
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ITGB3 P05106 2/20 0.44
ITGA2B P08514 2/20 0.44
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43

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
SCHEMBL6556436 0.91 KLK5 (0.55) KLK5RENPSEN1PSEN2APH1B
SCHEMBL6556439 0.91 KLK5 (0.55) KLK5RENPSEN1PSEN2APH1B
SCHEMBL7331235 0.90 BCL2 (0.55) BCL2PTPN1KLK5RENLTA4H
SCHEMBL7422374 0.86 BCL2 (0.49) BCL2PTPN1KLK5REN
SCHEMBL7152790 0.84 TRPM8 (0.54)
SCHEMBL7320400 0.84 TRPM8 (0.54)
SCHEMBL8945503 0.84 REN (0.49) BCL2PTPN1KLK5RENLTA4H
SCHEMBL8093075 0.84 PPARA (0.48) BCL2PTPN1KLK5RENLTA4H
SCHEMBL8945512 0.82 REN (0.47) BCL2PTPN1KLK5RENLTA4H
SCHEMBL8945614 0.82 REN (0.47) BCL2PTPN1KLK5RENLTA4H

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
US-5716973-A ADMINISTERING DIFLUORO STATONE ANALOGS MERRELL PHARMACEUTICALS INC. (US) 1998-02-10 US disclosed