SCHEMBL8919183

SCHEMBL8919183

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.43
MET P08581 1/20 0.43
GSK3B P49841 1/20 0.43
LIMK1 P53667 1/20 0.43
DYRK1A Q13627 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
KMT2A Q03164 4/20 0.42
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 3/20 0.42
PTPN11 Q06124 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
HPGD P15428 2/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
APEX1 P27695 1/20 0.42

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
SCHEMBL8921146 0.84 DAO (0.41) KMT2AKDM4EMEN1PTPN11ALDH1A1
SCHEMBL8918029 0.80 DAO (0.38) GSK3BKDM4EALDH1A1LMNAHPGD
SCHEMBL8920283 0.77 XDH (0.47) CHEK1METGSK3BLIMK1DYRK1A
SCHEMBL8920575 0.75 HSD17B2 (0.52) KMT2AKDM4EMEN1PTPN11ALDH1A1
SCHEMBL8919040 0.74 PPARG (0.38) KMT2AKDM4EMEN1PTPN11ALDH1A1
SCHEMBL7264698 0.73 DAO (0.41) KDM4EALDH1A1MAPTSMN1; SMN2DAO
SCHEMBL30159581 0.73 CREBBP (0.54) KMT2AKDM4EMEN1PTPN11ALDH1A1
SCHEMBL16881173 0.73 CREBBP (0.54) KMT2AKDM4EMEN1PTPN11ALDH1A1
SCHEMBL1144697 0.72 ACACB (0.43) KMT2AKDM4EMEN1PTPN11ALDH1A1
SCHEMBL8922937 0.71 CYP3A4 (0.43) KMT2AKDM4EMEN1PTPN11ALDH1A1

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