SCHEMBL8918029

SCHEMBL8918029

CCc1cc(C(=O)CCl)cc2ccc(=O)[nH]c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.38
ALDH1A1 P00352 7/20 0.37
KDM4E B2RXH2 3/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
GSK3B P49841 2/20 0.35
HIF1A Q16665 2/20 0.35
TRPA1 O75762 1/20 0.35
MAPK1 P28482 1/20 0.35
NEK2 P51955 2/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
HSD17B10 Q99714 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL8919223 0.91 THRA (0.37) DAOALDH1A1KDM4ELMNAHTT
SCHEMBL8921146 0.84 DAO (0.41) DAOALDH1A1KDM4EHSD17B10HPGD
SCHEMBL8922856 0.81 EIF4A3 (0.40) DAOALDH1A1KDM4ELMNAGSK3B
SCHEMBL8919183 0.80 CHEK1 (0.43) DAOALDH1A1KDM4ELMNAGSK3B
SCHEMBL8919040 0.74 PPARG (0.38) DAOALDH1A1KDM4EHSD17B10HPGD
SCHEMBL7264698 0.73 DAO (0.41) DAOALDH1A1KDM4ECA12CA9
SCHEMBL7348389 0.73 ALDH1A1 (0.54) ALDH1A1KDM4EGSK3BHIF1ATRPA1
SCHEMBL12301234 0.69 GRM1 (0.56) ALDH1A1KDM4EHSD17B10THRBTP53
SCHEMBL9293801 0.67 CA12 (0.53) ALDH1A1KDM4ELMNAHTTGSK3B
SCHEMBL8919065 0.66 CA12 (0.56) DAOALDH1A1KDM4ELMNACA12

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