SCHEMBL7641202

SCHEMBL7641202

C1=Cc2ccc3ccc4ccccc4c3c2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HSD17B10 Q99714 4/20 0.39
ALDH1A1 P00352 4/20 0.39
TSHR P16473 3/20 0.39
CYP2A6 P11509 2/20 0.39
CYP1A2 P05177 4/20 0.39
HPGD P15428 2/20 0.39
THRB P10828 1/20 0.39
HPRT1 P00492 1/20 0.37
HIF1A Q16665 2/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
RAB9A P51151 1/20 0.36
CASP7 P55210 1/20 0.36
ATM Q13315 1/20 0.36
CES1 P23141 1/20 0.36
PAX8 Q06710 1/20 0.35
CYP1B1 Q16678 1/20 0.34

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
SCHEMBL2290546 0.86 HSD17B10 (0.44) TDP1L3MBTL1HSD17B10ALDH1A1TSHR
SCHEMBL29399101 0.86 HSD17B10 (0.44) TDP1L3MBTL1HSD17B10ALDH1A1TSHR
Benzene SCHEMBL1724439 0.85 HSD17B10 (0.42) TDP1L3MBTL1HSD17B10ALDH1A1TSHR
SCHEMBL31450268 0.85 HSD17B10 (0.42) TDP1L3MBTL1HSD17B10ALDH1A1TSHR
Charcoal, Activated SCHEMBL3299280 0.84 HPRT1 (0.50) TDP1L3MBTL1HSD17B10ALDH1A1TSHR
SCHEMBL31126656 0.82
SCHEMBL31497107 0.81 HPRT1 (0.52) TDP1L3MBTL1HSD17B10ALDH1A1TSHR
SCHEMBL30541938 0.81 HPRT1 (0.52) TDP1L3MBTL1HSD17B10ALDH1A1TSHR
SCHEMBL30446008 0.81 HPRT1 (0.52) TDP1L3MBTL1HSD17B10ALDH1A1TSHR
SCHEMBL12475251 0.81 HPRT1 (0.52) TDP1L3MBTL1HSD17B10ALDH1A1TSHR

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-20240164267-A1 GENETIC MECHANISM TO ENHANCE HEALTHY STEROLS AND HARD ENDOSPERM IN SEEDS IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2024-05-23 US disclosed
US-6489424-B2 COMPLEX OF ZIRCONIUM, HAFNIUM OR TITANIUM CONTAINING A BENZIDENYL GROUP; STYRENE-OLEFIN COPOLYMER DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2002-12-03 US disclosed
US-20010051699-A1 Transition metal catalyst component for polymerization, aromatic vinyl compound polymer having stereoregularity and method for its preparation by means of the catalyst component DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2001-12-13 US disclosed