SCHEMBL8921162

SCHEMBL8921162

COc1ccc(C(=O)O)c2c1NC(=O)CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 7/20 0.40
CDC25B P30305 1/20 0.38
KDM4E B2RXH2 7/20 0.38
HPGD P15428 5/20 0.38
GAA P10253 2/20 0.38
GLA P06280 1/20 0.38
CRBN Q96SW2 2/20 0.37
CHEK1 O14757 1/20 0.36
HTT P42858 1/20 0.36
MYC P01106 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA7 P43166 1/20 0.36
TPMT P51580 1/20 0.36

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
SCHEMBL8920419 0.85 FLI1 (0.38) MAPTALDH1A1KDM4EHPGDGAA
SCHEMBL7097075 0.82 KDM4E (0.50) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL11865700 0.82 KDM4E (0.37) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL10838751 0.82 ALDH1A1 (0.35) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL11874083 0.80 ADRB3 (0.37) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL9385296 0.80 ADRB3 (0.43) MAPTALDH1A1KDM4EHPGDGAA
SCHEMBL6579526 0.79 TSHR (0.41) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL11132963 0.79 ADRB3 (0.35) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL11861861 0.79 ADRB2 (0.40) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL11830719 0.79 CRBN (0.36) MAPTALDH1A1KDM4EHPGDGAA

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