SCHEMBL10718902

SCHEMBL10718902

COCOc1c(OC)cc(C=CC=CC(=O)O)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.57
ALDH1A1 P00352 5/20 0.57
HPGD P15428 4/20 0.57
HSD17B10 Q99714 2/20 0.57
HTR1A P08908 2/20 0.57
HTR2C P28335 1/20 0.57
PKM P14618 2/20 0.50
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
ABCB1 P08183 1/20 0.50
TNFRSF1A P19438 2/20 0.48
HTT P42858 3/20 0.47
GAA P10253 2/20 0.47
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SNCA P37840 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43

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
SCHEMBL9672665 0.89 TNFRSF1A (0.52) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL9672672 0.89 TNFRSF1A (0.52) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL5573107 0.85 KDM4E (0.78) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL4644144 0.85 KDM4E (0.78) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL9330303 0.84 KDM4E (0.61) KDM4EALDH1A1HPGDHSD17B10PKM
SCHEMBL9330299 0.84 KDM4E (0.61) KDM4EALDH1A1HPGDHSD17B10PKM
SCHEMBL2743832 0.82 CYP1A2 (0.61) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL2743834 0.82 CYP1A2 (0.61) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL25308221 0.82 KDM4E (0.64) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL9329870 0.81 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-62175475-A None JP disclosed
JP-S62175475-A PIPERAZINE DERIVATIVE AND VASODILATOR CONTAINING SAID DERIVATIVE TERUMO CORP 1987-08-01 JP disclosed