SCHEMBL11111102

SCHEMBL11111102

COc1ccc(/C=C/C(=O)O)c(Cl)c1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.53
ALDH1A1 P00352 5/20 0.53
HPGD P15428 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HSD17B10 Q99714 2/20 0.53
ALOX15 P16050 1/20 0.53
MAPK1 P28482 1/20 0.53
GAA P10253 1/20 0.47
PKM P14618 2/20 0.46
SNCA P37840 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA3 P07451 1/20 0.46
CSNK2A2 P19784 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CSNK2B P67870 1/20 0.46

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
SCHEMBL11111104 1.00 KDM4E (0.53) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL2260551 0.87 PKM (0.51) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL4011689 0.87 ABCG2 (0.54) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL4011691 0.87 ABCG2 (0.54) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL2260547 0.87 PKM (0.51) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL30862130 0.87 HCAR2 (0.58) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL3966919 0.87 HCAR2 (0.58) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL3966920 0.87 HCAR2 (0.58) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL1536720 0.85 KDM4E (0.64) KDM4EHPGDSMN1; SMN2MAPK1GAA
SCHEMBL1536719 0.85 KDM4E (0.64) KDM4EHPGDSMN1; SMN2MAPK1GAA

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-0027948-B1 TETRAHYDRO-FLUORENE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF MERCK & CO. INC. (US) 1984-03-21 EP disclosed
US-4356313-A [(5,6,9a-substituted-3-oxo-1,2,9,9a-tetrahydro-3H-fluoren-7-yl)oxy]alkanoic and cycloalkanoic acid esters and their analogs, the parent acids and their salts MERCK & CO., INC. (US) 1982-10-26 US disclosed
US-4356314-A [5,6,9A-Substituted-3-oxo-1,2,9,9a-tetrahydro-3H-fluoren-7-yl)oxy]alkanoic and cycloalkanoic acids, their analogs, esters, salts, and derivatives MERCK & CO., INC. (US) 1982-10-26 US disclosed
US-4337354-A BRAIN AND SPINAL CHORD DAMAGE MERCK & CO., INC. (US) 1982-06-29 US disclosed
US-4317922-A [(5,6,9a-Substituted-3-oxo-1,2,9,9a-tetrahydro-3H-fluoren-7-yl)oxy]alkanoic and cycloalkanoic acids and their analogs, esters, salts and derivatives MERCK & CO., INC. (US) 1982-03-02 US disclosed
US-4316043-A ANTIEDEMIC AGENTS MERCK & CO., INC. (US) 1982-02-16 US disclosed
EP-0027948-A1 Tetrahydro-fluorene compounds, processes for their preparation and pharmaceutical compositions thereof MERCK & CO. INC. (US) 1981-05-06 EP disclosed