SCHEMBL9752819

SCHEMBL9752819

CCCCC=CC=COCCCCCCCC

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
FASN P49327 1/20 0.44
LPAR2 Q9HBW0 3/20 0.42
LPAR3 Q9UBY5 3/20 0.42
LPAR1 Q92633 2/20 0.42
FAAH O00519 2/20 0.39
TRPV1 Q8NER1 1/20 0.39

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
SCHEMBL5474004 1.00 ALDH1A1 (0.45) ALDH1A1TSHRFASNLPAR2LPAR3
SCHEMBL9752818 1.00 ALDH1A1 (0.45) ALDH1A1TSHRFASNLPAR2LPAR3
SCHEMBL5458348 0.98 ALDH1A1 (0.47) ALDH1A1TSHRFASNLPAR2LPAR3
SCHEMBL9699847 0.98 ALDH1A1 (0.47) ALDH1A1TSHRFASNLPAR2LPAR3
SCHEMBL6259607 0.91 TSHR (0.43) ALDH1A1TSHRFASNLPAR2LPAR3
SCHEMBL5456377 0.91 TSHR (0.43) ALDH1A1TSHRFASNLPAR2LPAR3
SCHEMBL8674217 0.90 ALDH1A1 (0.53) ALDH1A1TSHRFASNLPAR2LPAR3
SCHEMBL8674220 0.90 ALDH1A1 (0.53) ALDH1A1TSHRFASNLPAR2LPAR3
SCHEMBL8754660 0.89 TSHR (0.45) ALDH1A1TSHRFASNLPAR2LPAR3
SCHEMBL17377412 0.88 ALDH1A1 (0.50) ALDH1A1TSHRFASNLPAR2LPAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5072013-A For, sealing concrete HENKEL RESEARCH CORPORATION (US) 1991-12-10 US disclosed
WO-1991007414-A1 SILYLATED OCTENYL ETHERS HENKEL RESEARCH CORPORATION (US) 1991-05-30 WO disclosed