SCHEMBL6289529

SCHEMBL6289529

CC(C)(C)OC(=O)N1CCCC1COc1cccc(C(=O)O)c1O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ F2RL3 Q96RI0 4/20 0.49
▸ ALOX5AP P20292 3/20 0.45
▸ FEN1 P39748 1/20 0.45
▸ HSD11B1 P28845 1/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ KLK7 P49862 1/20 0.42
▸ EPHX2 P34913 1/20 0.41
▸ OPRD1 P41143 1/20 0.40
▸ UCHL1 P09936 1/20 0.40
▸ GPR119 Q8TDV5 2/20 0.40
▸ HCRTR2 O43614 1/20 0.39

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
SCHEMBL6544282 0.87 ALOX5AP (0.52) F2RL3ALOX5APFEN1MEN1KMT2A
SCHEMBL5152041 0.82 ALOX5AP (0.46) F2RL3ALOX5APFEN1HSD11B1MEN1
SCHEMBL2200755 0.81 CHRNB4 (0.58) F2RL3ALOX5APFEN1MEN1KMT2A
SCHEMBL1240615 0.81 F2RL3 (0.47) F2RL3ALOX5APFEN1MEN1KMT2A
SCHEMBL1241581 0.81 F2RL3 (0.47) F2RL3ALOX5APFEN1MEN1KMT2A
SCHEMBL5155609 0.81 DPP4 (0.49) F2RL3ALOX5APFEN1GPR119
SCHEMBL2539185 0.81 F2RL3 (0.50) F2RL3ALOX5APFEN1
SCHEMBL7997720 0.81 F2RL3 (0.50) F2RL3ALOX5APFEN1
SCHEMBL3113607 0.81 DPP4 (0.52) F2RL3ALOX5APFEN1MEN1KMT2A
SCHEMBL2200803 0.81 ALOX5AP (0.50) F2RL3ALOX5APFEN1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6867200-B1 (Hetero)aryl-bicyclic heteroaryl derivatives, their preparation and their use as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-15 — — US disclosed
EP-1140859-A2 (HETERO)ARYL-BICYCLIC HETEROARYL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-10-10 — — EP disclosed
WO-2000035886-A2 (HETERO)ARYL-BICYCLIC HETEROARYL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-06-22 — — WO disclosed
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