SCHEMBL8922937

SCHEMBL8922937

CCc1cc(C(=O)OC)cc2ccc(=O)n(C)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
KDM4E B2RXH2 6/20 0.42
LMNA P02545 4/20 0.42
PTPN11 Q06124 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
APEX1 P27695 1/20 0.42
CASP1 P29466 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
CASP7 P55210 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CASP3 P42574 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
SCHEMBL8918863 0.84 MEN1 (0.39) KDM4ELMNAPTPN11ALDH1A1MEN1
SCHEMBL28114866 0.77 KDM4E (0.39) CYP3A4KDM4ELMNAPTPN11ALDH1A1
SCHEMBL30204402 0.75 BRPF1 (0.53) KDM4ELMNAPTPN11MAPTALOX15
SCHEMBL19231292 0.73 KDM4E (0.48) CYP3A4KDM4ELMNAPTPN11ALDH1A1
SCHEMBL8919183 0.71 CHEK1 (0.43) CYP3A4KDM4ELMNAPTPN11ALDH1A1
SCHEMBL12419947 0.70 HPGD (0.48) KDM4ELMNAALDH1A1MEN1MAPT
SCHEMBL11671459 0.69 KDM4E (0.61) KDM4ELMNAPTPN11ALDH1A1TDP1
SCHEMBL29136490 0.69 CA1 (0.52) KDM4ELMNAALDH1A1TDP1MAPT
SCHEMBL6901103 0.68 CA12 (0.50) KDM4ELMNAALDH1A1TDP1MAPT
SCHEMBL27279304 0.68 CA1 (0.55) KDM4ELMNAALDH1A1TDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5591751-A CARBOSTYRIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-01-07 US disclosed
EP-0636128-A1 PIPERAZINOCARBONYLCARBOSTYRILS AS PERIPHERAL VASODILATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-02-01 EP disclosed
WO-1994019339-A1 PIPERAZINOCARBONYLCARBOSTYRILS AS PERIPHERAL VASODILATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-01 WO disclosed