SCHEMBL8467736

SCHEMBL8467736

CC(C)(C)OC(=O)Nc1c(F)cc(O)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.39
▸ ATR Q13535 1/20 0.38
▸ CYP17A1 P05093 2/20 0.37
▸ SERPINE1 P05121 1/20 0.35
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 1/20 0.35
▸ LCK P06239 2/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ AAK1 Q2M2I8 2/20 0.33
▸ TRPA1 O75762 1/20 0.33
▸ MIF P14174 1/20 0.33
▸ KCNQ4 P56696 1/20 0.33
▸ KCNQ5 Q9NR82 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ NQO2 P16083 1/20 0.33

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
SCHEMBL28561049 0.86 LCK (0.41) SYKATRCA1LCKCA12
SCHEMBL28911936 0.85 ATR (0.39) SYKATRCYP17A1CA1CA2
SCHEMBL25793113 0.82 SYK (0.44) SYKATRCYP17A1CA1LCK
SCHEMBL21132786 0.81 ATR (0.38) SYKATRCYP17A1CA1LCK
SCHEMBL31124321 0.80 ATR (0.41) SYKATRCYP17A1CA1LCK
SCHEMBL31290291 0.79 CTSS (0.42) ATRCYP17A1CA1CA2LMNA
SCHEMBL3126895 0.79 ATR (0.43) SYKATRCYP17A1CA1LCK
SCHEMBL22482353 0.78 CYP17A1 (0.43) SYKCYP17A1SERPINE1CA1CA2
SCHEMBL29675242 0.78 CYP17A1 (0.43) SYKCYP17A1SERPINE1CA1CA2
SCHEMBL22314427 0.78 LCK (0.45) SYKATRCYP17A1LCKAAK1

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
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