SCHEMBL7133644

SCHEMBL7133644

CC(C)(C)OC(=O)N1CC[C@H]1COc1cnc(Cl)c(C(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.40
CHRNA3 P32297 2/20 0.39
GPR119 Q8TDV5 5/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.38
FEN1 P39748 1/20 0.38
CHRNB4 P30926 1/20 0.37
CHRNA7 P36544 1/20 0.37

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
SCHEMBL7413516 0.91 PARP1 (0.41) ALOX5APCHRNA3GPR119POLBFEN1
SCHEMBL6583669 0.88 KDM4E (0.40) ALOX5APCHRNA3GPR119MEN1KMT2A
SCHEMBL7470605 0.88 ALOX5AP (0.41) ALOX5APCHRNA3GPR119MEN1KMT2A
SCHEMBL7478777 0.86 ALOX5AP (0.39) ALOX5APCHRNA3GPR119FEN1CHRNB4
SCHEMBL6584285 0.86 ALOX5AP (0.39) ALOX5APGPR119FEN1
SCHEMBL6583119 0.86 ALOX5AP (0.39) ALOX5APGPR119FEN1
SCHEMBL6588458 0.86 ALOX5AP (0.39) ALOX5APGPR119FEN1
SCHEMBL7134497 0.85 CHRNA3 (0.39) ALOX5APCHRNA3GPR119FEN1CHRNB4
SCHEMBL6585098 0.84 RET (0.40) ALOX5APGPR119FEN1
SCHEMBL6584732 0.84 ALOX5AP (0.39) ALOX5APCHRNA3GPR119FEN1CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030087306-A1 Methods for identifying novel multimeric agents that modulate receptors THERAVANCE BIOPHARMA R&D IP, LLC 2003-05-08 US disclosed
EP-1082289-A4 METHODS FOR IDENTIFYING NOVEL MULTIMERIC AGENTS THAT MODULATE RECEPTORS ADVANCED MEDICINE INC (US) 2001-03-14 EP disclosed
EP-1082289-A1 METHODS FOR IDENTIFYING NOVEL MULTIMERIC AGENTS THAT MODULATE RECEPTORS Advanced Medicine, Inc. (US) 2001-03-14 EP disclosed
WO-1999066944-A9 METHODS FOR IDENTIFYING NOVEL MULTIMERIC AGENTS THAT MODULATE RECEPTORS ADVANCED MEDICINE INC (US) 2000-07-27 WO disclosed
WO-1999066944-A1 METHODS FOR IDENTIFYING NOVEL MULTIMERIC AGENTS THAT MODULATE RECEPTORS ADVANCED MEDICINE, INC. (US) 1999-12-29 WO disclosed