SCHEMBL7632379

SCHEMBL7632379

COc1cc(CCC(=O)C2CCCC2=O)cc(OS(=O)(=O)c2ccc(C)cc2)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
KMT2A Q03164 5/20 0.39
MEN1 O00255 3/20 0.38
GAA P10253 2/20 0.38
LMNA P02545 3/20 0.37
HPGD P15428 2/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
RUNX1 Q01196 1/20 0.37
ATM Q13315 1/20 0.37
CBFB Q13951 1/20 0.37
RCE1 Q9Y256 1/20 0.37
POLB P06746 1/20 0.37
ALOX12 P18054 1/20 0.37
MAPK1 P28482 1/20 0.37
MCL1 Q07820 1/20 0.37
SIGMAR1 Q99720 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
SCHEMBL7638791 0.85 KMT2A (0.47) ALDH1A1KMT2AMEN1MAPTMAPK1
SCHEMBL7636534 0.80 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1GAALMNA
SCHEMBL7630261 0.79 KMT2A (0.46) ALDH1A1KMT2AMEN1GAALMNA
SCHEMBL7630166 0.77 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1GAALMNA
SCHEMBL8163013 0.72 GFER (0.46) ALDH1A1KMT2AMEN1GAALMNA
SCHEMBL8163011 0.72 GFER (0.43) ALDH1A1KMT2AMEN1GAALMNA
SCHEMBL7931629 0.69 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1GAALMNA
SCHEMBL7632391 0.68 KMT2A (0.51) ALDH1A1KMT2AMEN1GAALMNA
SCHEMBL9665141 0.67 MAPK1 (0.64) ALDH1A1KMT2AHPGDKDM4EPOLB
SCHEMBL1323737 0.66 GFER (0.45) ALDH1A1KMT2AMEN1GAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-6268520-B1 USED FORPREPARATION OF OPTICALLY ACTIVE OR RACEMIC COLCHICINE AND THIOCOLCHICINE DERIVATIVES HOECHST MARION ROUSSEL (FR) 2001-07-31 US 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-0729933-B1 Tricyclic derivatives, their preparation, their use in the preparation of optically active or racemic colchicine, thiocolchicine and analogues or derivatives, and intermediates HOECHST MARION ROUSSEL INC (FR) 2000-01-26 EP 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
EP-0729933-A1 Tricyclic derivatives, their preparation, their use in the preparation of optically active or racemic colchicine, thiocolchicine and analogues or derivatives, and intermediates ROUSSEL-UCLAF (FR) 1996-09-04 EP disclosed