SCHEMBL458086

SCHEMBL458086

Cc1cc2cccc3c2c(c1C)-c1ccccc1-3

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.46
ALDH1A1 P00352 4/20 0.46
TSHR P16473 4/20 0.46
HSD17B10 Q99714 3/20 0.46
ATM Q13315 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CASP1 P29466 3/20 0.42
HPGD P15428 2/20 0.42
HIF1A Q16665 2/20 0.42
CASP7 P55210 2/20 0.42
TP53 P04637 1/20 0.42
CES1 P23141 1/20 0.40
KLK7 P49862 1/20 0.39
PABPC1 P11940 2/20 0.38
CYP3A4 P08684 1/20 0.38
DNMT1 P26358 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ANPEP P15144 1/20 0.37
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL28871013 0.80 CES1 (0.47) MAPK1ALDH1A1TSHRHSD17B10ATM
SCHEMBL9465440 0.76 KLK7 (0.43) MAPK1ALDH1A1TSHRHSD17B10ATM
SCHEMBL1059869 0.76 ALDH1A1 (0.56) MAPK1ALDH1A1TSHRHSD17B10ATM
SCHEMBL26775356 0.73 ALDH1A1 (0.35) MAPK1ALDH1A1TSHRHSD17B10ATM
SCHEMBL29531588 0.72 CES1 (0.65) MAPK1ALDH1A1TSHRHSD17B10ATM
SCHEMBL69110 0.72 CES1 (0.65) MAPK1ALDH1A1TSHRHSD17B10ATM
SCHEMBL26775365 0.72 ALDH1A1 (0.34) MAPK1ALDH1A1TSHRHSD17B10ATM
SCHEMBL30509266 0.72 ALDH1A1 (0.47) MAPK1ALDH1A1TSHRHSD17B10L3MBTL1
SCHEMBL3417694 0.72 ALDH1A1 (0.50) MAPK1ALDH1A1TSHRHSD17B10ATM
SCHEMBL5178631 0.72 ALDH1A1 (0.47) MAPK1ALDH1A1TSHRHSD17B10L3MBTL1

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 17 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
JP-58096645-A None JP disclosed
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
WO-2011159924-A2 COMPOSITIONS AND METHODS FOR IDENTIFYING AND MODIFYING CARBONACEOUS COMPOSITIONS TAXON BIOSCIENCES, INC. (US) 2011-12-22 WO disclosed
US-20110308790-A1 IN SITU METHANOGENESIS MODELING AND RISK ANALYSIS CONOCOPHILLIPS COMPANY (US) 2011-12-22 US disclosed
WO-2011159919-A2 IN SITU METHANOGENESIS MODELING AND RISK ANALYSIS CONOCOPHILLIPS COMPANY (US) 2011-12-22 WO disclosed
JP-S5896645-A RADIATION-RESISTANT COMPOSITION HITACHI CABLE LTD 1983-06-08 JP disclosed
US-4016135-A STABILIZATION OF A POLYMERIC RESIN WITH AN ALKYL SUBSTITUTED TETRACYCLIC COMPOUND KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JA) 1977-04-05 US disclosed