SCHEMBL5203864

SCHEMBL5203864

O=C1CCc2cc(O)ccc2C2=C1CCC2

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.69
MAOA P21397 2/20 0.69
PRKCI P41743 1/20 0.69
HSD17B1 P14061 4/20 0.56
PBRM1 Q86U86 1/20 0.53
NTRK1 P04629 1/20 0.47
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
CCNA1 P78396 1/20 0.47
MIF P14174 5/20 0.45
CYP26A1 O43174 2/20 0.45
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
AKR1B1 P15121 1/20 0.44
HSP90AA1 P07900 1/20 0.41
CYP19A1 P11511 1/20 0.41
ESR1 P03372 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
SCHEMBL7637788 0.86 PBRM1 (0.68) MAOBMAOAPRKCIHSD17B1PBRM1
SCHEMBL389710 0.85 MAOB (0.78) MAOBMAOAPRKCIHSD17B1PBRM1
SCHEMBL228128 0.82 MAOA (1.00) MAOBMAOAPRKCIHSD17B1PBRM1
SCHEMBL7974509 0.79 CASP1 (0.44) MAOBMAOAPRKCIHSD17B1PBRM1
SCHEMBL5204433 0.79 SRD5A2 (0.55) MAOBMAOAPRKCIHSD17B1CASP1
SCHEMBL3825921 0.78 MAOA (0.92) MAOBMAOAPRKCIHSD17B1PBRM1
SCHEMBL23142696 0.76 MAOB (0.58) MAOBMAOAPRKCIHSD17B1PBRM1
SCHEMBL784291 0.74 MAOB (0.59) MAOBMAOAPRKCIHSD17B1PBRM1
SCHEMBL7716113 0.74 PTPRC (0.46) MAOBMAOAPRKCIHSD17B10HSP90AA1
SCHEMBL7976822 0.72 ALDH1A1 (0.39) MAOBMAOAPRKCIHSD17B1CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1017680-B1 TRICYCLIC COMPOUNDS, PREPARATION METHOD AND SAID METHOD INTERMEDIATES, APPLICATION AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2007-02-07 EP disclosed
US-6459001-B1 Tricyclic compounds, their preparation process and the intermediates of this process, their use as medicaments and the pharmaceutical compositions containing them AVENTIS PHARMA S.A. (FR) 2002-10-01 US disclosed
US-6339082-B1 FOR THERAPY OF DISEASES CAUSED BY LOSS OF BONE MATRIX AVENTIS PHARMA S.A. (FR) 2002-01-15 US disclosed
EP-0888292-B1 TRICYCLIC COMPOUNDS HAVING ACTIVITY SPECIFIC FOR INTEGRINS, PARTICULARLY ALPHAvBETA3 INTEGRINS, METHOD FOR PREPARING SAME, INTERMEDIATES THEREFOR, USE OF SAID COMPOUNDS AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2001-10-31 EP disclosed
US-6221907-B1 Tricyclic compounds having activity specific for integrins, particularly alphanubeta3 integrins, method for preparing same, intermediates therefor, use of said compounds as drugs, and pharmaceutical compositions containing same HOECHST MARION ROUSSEL (FR) 2001-04-24 US disclosed
EP-0888292-A1 TRICYCLIC COMPOUNDS HAVING ACTIVITY SPECIFIC FOR INTEGRINS, PARTICULARLY $g(a)v$g(b)3 INTEGRINS, METHOD FOR PREPARING SAME, INTERMEDIATES THEREFOR, USE OF SAID COMPOUNDS AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME HOECHST MARION ROUSSEL (FR) 1999-01-07 EP disclosed
WO-1997034865-A1 TRICYCLIC COMPOUNDS HAVING ACTIVITY SPECIFIC FOR INTEGRINS, PARTICULARLY αvβ3 INTEGRINS, METHOD FOR PREPARING SAME, INTERMEDIATES THEREFOR, USE OF SAID COMPOUNDS AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME HOECHST MARION ROUSSEL (FR) 1997-09-25 WO disclosed