SCHEMBL539394

SCHEMBL539394

C=CCOC=CC=CCCCC

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.44
ALDH1A1 P00352 2/20 0.44
FASN P49327 1/20 0.35
FAAH O00519 2/20 0.30
KDM4E B2RXH2 1/20 0.30
LPAR2 Q9HBW0 2/20 0.30
LPAR3 Q9UBY5 2/20 0.30
PPARA Q07869 1/20 0.30
LPAR1 Q92633 1/20 0.30

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
SCHEMBL539393 1.00 TSHR (0.44) TSHRALDH1A1FASNFAAHKDM4E
SCHEMBL9423647 0.88 TSHR (0.48) TSHRALDH1A1FAAHLPAR2LPAR3
SCHEMBL28921957 0.82 TSHR (0.48) TSHRALDH1A1FAAH
SCHEMBL5399347 0.80 TSHR (0.52) TSHRALDH1A1FAAH
SCHEMBL6810108 0.80 TSHR (0.52) TSHRALDH1A1FAAH
SCHEMBL11781038 0.80 TSHR (0.52) TSHRALDH1A1FAAH
SCHEMBL11781030 0.80 TSHR (0.52) TSHRALDH1A1FAAH
SCHEMBL11792388 0.80 TSHR (0.52) TSHRALDH1A1FAAH
SCHEMBL11792380 0.80 TSHR (0.52) TSHRALDH1A1FAAH
SCHEMBL5469391 0.79 TSHR (0.45) TSHRALDH1A1FASNFAAHKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2285488-B1 METHOD FOR PRODUCING SATURATED ETHERS BY HYDROGENATION OF UNSATURATED ETHERS EVONIK OXENO GMBH (DE) 2012-02-08 EP claimed
US-20110034739-A1 CATALYST AND PROCESS FOR PREPARING SATURATED ETHERS BY HYDROGENATING UNSATURATED ETHERS EVONIK OXENO GMBH (DE) 2011-02-10 US claimed
US-20110034739-A1 CATALYST AND PROCESS FOR PREPARING SATURATED ETHERS BY HYDROGENATING UNSATURATED ETHERS EVONIK OXENO GMBH (DE) 2011-02-10 US disclosed
US-4721820-A CUPRIC CHLORIDE OR BROMIDE OR PALLADIUM HALIDE CATALYST NATIONAL DISTILLERS AND CHEMICAL CORPORATION (US) 1988-01-26 US disclosed
US-4078005-A BROMINATION CHEMISCHE WERKE HUELS AKTIENGESELLSCHAFT (DT) 1978-03-07 US disclosed