SCHEMBL8880437

SCHEMBL8880437

COC(=O)C(C)(C)Cc1ccc(CCO)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 7/20 0.54
CYP4F2 P78329 6/20 0.54
PPARA Q07869 2/20 0.49
PTPRB P23467 3/20 0.41
CA2 P00918 2/20 0.39
BRS3 P32247 1/20 0.39
PTPN2 P17706 2/20 0.38
PTPN1 P18031 2/20 0.38
PTPRA P18433 1/20 0.38
CA1 P00915 1/20 0.38
PTPRC P08575 1/20 0.38
PTPRG P23470 1/20 0.38
ACP1 P24666 1/20 0.38
F2RL1 P55085 1/20 0.38

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
SCHEMBL11509018 0.89 PTPRB (0.47) PTPRBCA2PTPN2PTPN1PTPRA
SCHEMBL8879088 0.85 MEN1 (0.44) CYP4A11CYP4F2PTPRBBRS3PTPN2
SCHEMBL11646444 0.84 PTPRB (0.44) PTPRBPTPN2PTPN1PTPRA
SCHEMBL15059305 0.82 EPHX2 (0.44) PTPRBPTPN2PTPN1PTPRA
SCHEMBL11530777 0.82 HPGD (0.45) PTPRBPTPN2PTPN1PTPRA
SCHEMBL3665931 0.82 ESR1 (0.53) PTPRBCA2PTPN2PTPN1PTPRA
SCHEMBL14290217 0.82 ALDH1A1 (0.45) PTPRBCA2PTPN2PTPN1PTPRA
SCHEMBL6469058 0.81 GRN (0.50) PPARAPTPRB
SCHEMBL18999227 0.81 CA1 (0.51) CA2PTPN1CA1
SCHEMBL13903099 0.81 PTPRB (0.54) PTPRBCA2CA1F2RL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5624948-A TREATMENT OF BRONCHIAL ASTHMA KISSEI PHARMACEUTICAL CO., LTD. (JP) 1997-04-29 US disclosed
EP-0699668-A1 1-(2-BENZIMIDAZOLYL)-1,5-DIAZACYCLOOCTANE DERIVATIVE Kissei Pharmaceutical Co., Ltd. (JP) 1996-03-06 EP disclosed