SCHEMBL16410286

SCHEMBL16410286

COC(=O)Cc1ccccc1OCc1cccc(-c2cccc(CNC(=O)OC(C)(C)C)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 12/20 0.51
F11 P03951 10/20 0.51
TPSB2 P20231 9/20 0.51
KLKB1 P03952 2/20 0.51
PLG P00747 1/20 0.51
PLAU P00749 1/20 0.51
F7 P08709 1/20 0.51
BRD4 O60885 1/20 0.42
CREBBP Q92793 1/20 0.42
HDAC1 Q13547 1/20 0.42
ITGA4 P13612 1/20 0.41
ITGB7 P26010 1/20 0.41
GLS O94925 3/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
PTGER1 P34995 1/20 0.40
PTGER4 P35408 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40

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
SCHEMBL16410528 0.89 MRGPRX4 (0.41) CFDF11TPSB2KLKB1PLG
SCHEMBL16396196 0.89 BRD4 (0.40) CFDF11TPSB2KLKB1PLG
SCHEMBL16397186 0.89 BRD4 (0.40) CFDF11TPSB2KLKB1PLG
SCHEMBL17764225 0.89 CCR5 (0.44) CFDF11TPSB2KLKB1PLG
SCHEMBL16397752 0.89 BRD4 (0.40) CFDF11TPSB2KLKB1PLG
SCHEMBL16410362 0.88 CFD (0.42) CFDF11TPSB2KLKB1PLG
SCHEMBL16396606 0.88 CFD (0.49) CFDF11TPSB2KLKB1PLG
SCHEMBL17764385 0.87 ACACB (0.39) CFDF11TPSB2KLKB1PLG
SCHEMBL16397233 0.87 HDAC1 (0.41) CFDF11TPSB2KLKB1PLG
SCHEMBL16410458 0.87 CFD (0.44) CFDF11TPSB2KLKB1PLG

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
WO-2015009977-A1 AMINOMETHYL-BIARYL DERIVATIVES AS COMPLEMENT FACTOR D INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2015-01-22 WO disclosed