SCHEMBL28031408

SCHEMBL28031408

[CH]1C=Cc2c1cccc2-c1cccc2c1ccc1ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 4/20 0.47
ALDH1A1 P00352 5/20 0.40
HSD17B10 Q99714 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
TSHR P16473 2/20 0.40
CYP2A6 P11509 1/20 0.40
CYP1A2 P05177 4/20 0.39
HPGD P15428 3/20 0.39
HIF1A Q16665 3/20 0.39
MAPK1 P28482 3/20 0.39
LMNA P02545 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALOX12 P18054 1/20 0.39
KMT2A Q03164 1/20 0.39
PAX8 Q06710 1/20 0.36

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
SCHEMBL26148 0.91 POLB (0.37) ALDH1A1HSD17B10TDP1TSHRCYP2A6
SCHEMBL6647826 0.90 POLB (0.36) ALDH1A1HSD17B10TDP1TSHRCYP2A6
SCHEMBL27504826 0.90 POLB (0.36) ALDH1A1HSD17B10TDP1TSHRCYP2A6
SCHEMBL20972408 0.85 CYP2A6 (0.33) ALDH1A1HSD17B10TDP1TSHRCYP2A6
SCHEMBL27350922 0.78 CYP2A6 (0.40) ALDH1A1HSD17B10TDP1TSHRCYP2A6
SCHEMBL29445992 0.78 HPRT1 (0.78) HPRT1ALDH1A1HSD17B10TDP1TSHR
SCHEMBL593261 0.78 HPRT1 (0.78) HPRT1ALDH1A1HSD17B10TDP1TSHR
SCHEMBL29769915 0.78 HPRT1 (0.78) HPRT1ALDH1A1HSD17B10TDP1TSHR
SCHEMBL27381662 0.77 TSHR (0.39) ALDH1A1HSD17B10TDP1TSHRCYP2A6
SCHEMBL26011 0.76 ALDH1A1 (0.46) HPRT1ALDH1A1HSD17B10TDP1TSHR

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
CN-105008408-B METHOD FOR PRODUCING ETHYLENE/[alpha]-OLEFIN COPOLYMER 日本聚乙烯株式会社 2017-05-10 CN disclosed
CN-105026408-A Metallocene compound, catalyst for olefin polymer, method for producing olefin polymer, and olefin polymer JAPAN POLYETHYLENE CORP 2015-11-04 CN disclosed
CN-105008408-A METHOD FOR PRODUCING ETHYLENE/[alpha]-OLEFIN COPOLYMER JAPAN POLYETHYLENE CORP 2015-10-28 CN disclosed