SCHEMBL9803576

SCHEMBL9803576

C=C[CH]c1ccccc1OCC=C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.62
TSHR P16473 1/20 0.62
MAPK1 P28482 1/20 0.62
HSD17B10 Q99714 1/20 0.62
LIG1 P18858 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 2/20 0.42
SLC22A1 O15245 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
HTR1A P08908 1/20 0.41
CYP2D6 P10635 1/20 0.41
HTR2A P28223 1/20 0.41

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
SCHEMBL3659231 0.84 HPGD (0.66) HPGDTSHRMAPK1HSD17B10LIG1
1,2-Diallyloxybenzene SCHEMBL29768784 0.81 HPGD (0.60) HPGDTSHRMAPK1HSD17B10LIG1
1,2-Diallyloxybenzene SCHEMBL366516 0.81 HPGD (0.60) HPGDTSHRMAPK1HSD17B10LIG1
SCHEMBL29690311 0.81 ALDH1A1 (0.68) HPGDTSHRMAPK1HSD17B10LIG1
SCHEMBL9518510 0.81 ALDH1A1 (0.47) HPGDTSHRMAPK1HSD17B10MEN1
SCHEMBL10947101 0.81 HPGD (0.62) HPGDTSHRMAPK1HSD17B10LIG1
SCHEMBL1482988 0.81 ALDH1A1 (0.68) HPGDTSHRMAPK1HSD17B10LIG1
SCHEMBL9014133 0.79 HPGD (0.60) HPGDTSHRMAPK1HSD17B10LIG1
SCHEMBL9492872 0.78 HSD17B10 (0.58) HPGDTSHRMAPK1HSD17B10LIG1
SCHEMBL23680002 0.77 HPGD (1.00) HPGDTSHRMAPK1HSD17B10LIG1

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
EP-0166527-B1 A PROCESS FOR THE PREPARATION OF EPOXIDES BY MEANS OF MICROORGANISMS NIPPON MINING COMPANY LIMITED (JP) 1991-04-03 EP disclosed
EP-0166527-A2 A process for the preparation of epoxides by means of microorganisms NIPPON MINING COMPANY LIMITED (JP) 1986-01-02 EP disclosed