SCHEMBL5648722

SCHEMBL5648722

COc1ccc(C2(c3ccccc3)C=Cc3c4c(c5ccccc5c3O2)-c2cc(OC)c(OC)cc2C4(C)C)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF4A1 P60842 5/20 0.33
CYP3A4 P08684 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
CYP2C19 P33261 2/20 0.33
HIF1A Q16665 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
GPR84 Q9NQS5 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA13 Q8N1Q1 1/20 0.31
KDM4E B2RXH2 2/20 0.31
SIRT1 Q96EB6 1/20 0.31

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
SCHEMBL1187814 0.98 CA12 (0.32) EIF4A1CYP3A4ALDH1A1TSHRCYP2C19
SCHEMBL3698200 0.90 CA12 (0.33) ALDH1A1TSHRCYP2C19MEN1KMT2A
SCHEMBL30708909 0.90 CA12 (0.33) ALDH1A1TSHRCYP2C19MEN1KMT2A
SCHEMBL3147233 0.88 PGR (0.33) ALDH1A1TSHRCYP2C19MEN1KMT2A
SCHEMBL25844009 0.88 TP53 (0.34) ALDH1A1TSHRCYP2C19MEN1KMT2A
SCHEMBL9899542 0.87 CYP1A1 (0.41) CYP3A4ALDH1A1TSHRCYP2C19MEN1
SCHEMBL25603693 0.87 TP53 (0.31) ALDH1A1TSHRCYP2C19MEN1KMT2A
SCHEMBL5646011 0.87 ALDH1A1 (0.33) EIF4A1CYP3A4ALDH1A1TSHRCYP2C19
SCHEMBL29453311 0.87 MEN1 (0.32) EIF4A1CYP3A4ALDH1A1TSHRCYP2C19
SCHEMBL1046559 0.87 MEN1 (0.32) EIF4A1CYP3A4ALDH1A1TSHRCYP2C19

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-7166357-B2 Photochromic articles that activate behind ultraviolet radiation blocking transparencies and methods for preparation TRANSITIONS OPTICAL, INC. (US) 2007-01-23 US claimed
US-20040185268-A1 Photochromic articles that activate behind ultraviolet radiation blocking transparencies and methods for preparation TRANSITIONS OPTICAL LIMITED (IE) 2004-09-23 US claimed
US-20040185268-A1 Photochromic articles that activate behind ultraviolet radiation blocking transparencies and methods for preparation TRANSITIONS OPTICAL LIMITED (IE) 2004-09-23 US disclosed