SCHEMBL23000124

SCHEMBL23000124

COc1ccc(-c2ccc(-c3cccc4nsnc34)s2)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 1/20 0.45
▸ HSD17B2 P37059 1/20 0.45
▸ POLB P06746 4/20 0.44
▸ MAPT P10636 3/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ CYP1A1 P04798 2/20 0.44
▸ CYP1B1 Q16678 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2E1 P05181 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C8 P10632 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2A6 P11509 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP4B1 P13584 1/20 0.44
▸ CYP2B6 P20813 1/20 0.44
▸ CYP3A5 P20815 1/20 0.44
▸ CYP2A7 P20853 1/20 0.44

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
SCHEMBL17642170 0.88 CYP1A1 (0.46) HSD17B1HSD17B2MAPTKDM4ECYP1A1
SCHEMBL17641863 0.79 CYP1A1 (0.45) POLBMAPTKDM4ECYP1A1CYP1B1
SCHEMBL23145123 0.78 MAPT (0.50) POLBMAPTKDM4EALDH1A1GAA
SCHEMBL14515080 0.77 APP (0.71) HSD17B1HSD17B2KDM4EALDH1A1CYP1A2
SCHEMBL31402837 0.76 CYP1A1 (0.63) HSD17B1HSD17B2POLBMAPTKDM4E
SCHEMBL25070453 0.75 CYP1A1 (0.51) HSD17B1HSD17B2MAPTCYP1A1CYP1B1
SCHEMBL24478312 0.75 CYP1A1 (0.51) MAPTKDM4ECYP1A1CYP1B1ALDH1A1
SCHEMBL29171299 0.74 TDP1 (0.46) MAPTKDM4EALDH1A1HPGDAPP
SCHEMBL10330353 0.73 MAPT (0.46) POLBMAPTKDM4EALDH1A1GAA
SCHEMBL31402835 0.73 CYP1A1 (0.50) HSD17B1HSD17B2MAPTKDM4ECYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3782279-A1 LUMINESCENT SOLAR CONCENTRATORS OF NEUTRAL COLORATION ENI S.p.A. (IT) 2021-02-24 — — EP claimed
Send feedback