SCHEMBL458671

SCHEMBL458671

Cc1cc2c(cc1C)-c1cccc3cccc-2c13

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.65
HSD17B10 Q99714 8/20 0.65
HPGD P15428 6/20 0.65
TSHR P16473 5/20 0.65
MAPK1 P28482 4/20 0.65
CASP1 P29466 3/20 0.65
CASP7 P55210 2/20 0.65
HIF1A Q16665 2/20 0.65
TP53 P04637 1/20 0.65
L3MBTL1 Q9Y468 3/20 0.59
ATM Q13315 2/20 0.59
CES2 O00748 1/20 0.48
BCHE P06276 1/20 0.48
CES1 P23141 1/20 0.48
MCL1 Q07820 1/20 0.48
CYP3A4 P08684 3/20 0.46
PABPC1 P11940 1/20 0.46
DNMT1 P26358 1/20 0.46
TYMS P04818 3/20 0.45
MEN1 O00255 2/20 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
SCHEMBL12990204 0.80 ALDH1A1 (0.67) ALDH1A1HSD17B10HPGDTSHRMAPK1
SCHEMBL22635014 0.79 ALDH1A1 (0.58) ALDH1A1HSD17B10HPGDTSHRMAPK1
Benzo(K)Fluoranthene SCHEMBL175484 0.79 ALDH1A1 (1.00) ALDH1A1HSD17B10HPGDTSHRMAPK1
Benzo(K)Fluoranthene SCHEMBL29393074 0.79 ALDH1A1 (1.00) ALDH1A1HSD17B10HPGDTSHRMAPK1
Fluoranthene SCHEMBL2450952 0.78 ALDH1A1 (0.94) ALDH1A1HSD17B10HPGDTSHRMAPK1
SCHEMBL26774524 0.78 ALDH1A1 (0.42) ALDH1A1HSD17B10HPGDTSHRMAPK1
Ammonia Solution, Strong SCHEMBL27626211 0.78 ALDH1A1 (0.81) ALDH1A1HSD17B10HPGDTSHRMAPK1
SCHEMBL8650891 0.76 ALDH1A1 (0.54) ALDH1A1HSD17B10HPGDTSHRMAPK1
SCHEMBL13492291 0.76 CYP1A2 (0.53) ALDH1A1HSD17B10HPGDTSHRMAPK1
Fluoranthene SCHEMBL28852094 0.76 ALDH1A1 (0.88) ALDH1A1HSD17B10HPGDTSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110308790-A1 IN SITU METHANOGENESIS MODELING AND RISK ANALYSIS CONOCOPHILLIPS COMPANY (US) 2011-12-22 US claimed
WO-2011159919-A2 IN SITU METHANOGENESIS MODELING AND RISK ANALYSIS CONOCOPHILLIPS COMPANY (US) 2011-12-22 WO claimed
US-10358660-B2 Compositions and methods for identifying and modifying carbonaceous compositions TAXON BIOSCIENCES, INC. (US) 2019-07-23 US disclosed
US-10221432-B2 In situ methanogenesis modeling and risk analysis CONOCOPHILLIPS COMPANY (US) 2019-03-05 US disclosed
EP-2582846-B1 COMPOSITIONS AND METHODS FOR IDENTIFYING AND MODIFYING CARBONACEOUS COMPOSITIONS TAXON BIOSCIENCES INC (US) 2018-11-28 EP disclosed
US-20180223316-A1 COMPOSITIONS AND METHODS FOR IDENTIFYING AND MODIFYING CARBONACEOUS COMPOSITIONS TAXON BIOSCIENCES INC. (US) 2018-08-09 US disclosed
US-20180163234-A1 COMPOSITIONS AND METHODS FOR IDENTIFYING AND MODIFYING CARBONACEOUS COMPOSITIONS TAXON BIOSCIENCES, INC. (US) 2018-06-14 US disclosed
US-20160108435-A1 COMPOSITIONS AND METHODS FOR IDENTIFYING AND MODIFYING CARBONACEOUS COMPOSITIONS TAXON BIOSCIENCES INC (US) 2016-04-21 US disclosed
US-9206680-B2 Compositions and methods for identifying and modifying carbonaceous compositions TAXON BIOSCIENCES INC (US) 2015-12-08 US disclosed
US-20130116126-A1 COMPOSITIONS AND METHODS FOR IDENTIFYING AND MODIFYING CARBONACEOUS COMPOSITIONS TAXON BIOSCIENCES, INC. (US) 2013-05-09 US disclosed
EP-2582846-A2 COMPOSITIONS AND METHODS FOR IDENTIFYING AND MODIFYING CARBONACEOUS COMPOSITIONS Taxon Biosciences, Inc. (US) 2013-04-24 EP disclosed
US-20110308790-A1 IN SITU METHANOGENESIS MODELING AND RISK ANALYSIS CONOCOPHILLIPS COMPANY (US) 2011-12-22 US disclosed
WO-2011159924-A2 COMPOSITIONS AND METHODS FOR IDENTIFYING AND MODIFYING CARBONACEOUS COMPOSITIONS TAXON BIOSCIENCES, INC. (US) 2011-12-22 WO disclosed
WO-2011159919-A2 IN SITU METHANOGENESIS MODELING AND RISK ANALYSIS CONOCOPHILLIPS COMPANY (US) 2011-12-22 WO disclosed