SCHEMBL8311131

SCHEMBL8311131

COc1ccc(C2(c3ccc(OC)cc3)C=Cc3c(cc(O)c4ccccc34)O2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 3/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
CYP3A4 P08684 2/20 0.34
TP53 P04637 2/20 0.34
KDM4E B2RXH2 2/20 0.34
USP2 O75604 1/20 0.34
CYP1A2 P05177 2/20 0.34
ALOX15 P16050 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
DYRK1A Q13627 2/20 0.33
HIF1A Q16665 2/20 0.33
ALOX12 P18054 1/20 0.33
PHLPP2 Q6ZVD8 1/20 0.33
MITF O75030 1/20 0.33

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
SCHEMBL7553115 0.86 PDE4D (0.39) ALDH1A1HSD17B10MAPTMEN1KMT2A
SCHEMBL8310246 0.85 DYRK1A (0.35) DYRK1ALMNATHRBCTSV
SCHEMBL3701217 0.84 ACACA (0.43) ALDH1A1MAPTMEN1KMT2ACYP3A4
SCHEMBL8445339 0.82 BACE1 (0.40) ALDH1A1HSD17B10MAPTMEN1KMT2A
SCHEMBL5615531 0.80 ALDH1A1 (0.43) ALDH1A1HSD17B10MAPTMEN1KMT2A
SCHEMBL5615614 0.78 KMT2A (0.41) ALDH1A1HSD17B10MAPTMEN1KMT2A
SCHEMBL14607589 0.78 POLB (0.40) ALDH1A1HSD17B10MAPTCYP3A4KDM4E
SCHEMBL29375169 0.78 PRKDC (0.41) ALDH1A1HSD17B10MAPTCYP3A4KDM4E
SCHEMBL2456236 0.78 PRKDC (0.41) ALDH1A1HSD17B10MAPTCYP3A4KDM4E
SCHEMBL5615321 0.78 SMN1; SMN2 (0.43) ALDH1A1MAPTMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0954761-A4 1999-11-10 EP disclosed
EP-0954761-A1 PHOTOCHROMIC SUBSTITUTED NAPHTHOPYRAN COMPOUNDS PPG Industries Ohio, Inc. (US) 1999-11-10 EP disclosed
US-5744070-A Photochromic substituted naphthopyran compounds TRANSITIONS OPTICAL, INC. (US) 1998-04-28 US disclosed
WO-1997022895-A1 PHOTOCHROMIC SUBSTITUTED NAPHTHOPYRAN COMPOUNDS PPG INDUSTRIES, INC. (US) 1997-06-26 WO disclosed