SCHEMBL11396722

SCHEMBL11396722

CCCCCCCCCC/C=C\CCCOS(=O)(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 5/20 0.50
▸ ABCB1 P08183 5/20 0.47
▸ SOAT2 O75908 1/20 0.45
▸ SOAT1 P35610 1/20 0.45
▸ FAAH O00519 3/20 0.43
▸ CNR1 P21554 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ ABCC1 P33527 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ DUSP3 P51452 1/20 0.40
▸ LPAR3 Q9UBY5 1/20 0.40

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
SCHEMBL11395662 1.00 EPHX2 (0.50) EPHX2ABCB1SOAT2SOAT1FAAH
SCHEMBL11395665 1.00 EPHX2 (0.50) EPHX2ABCB1SOAT2SOAT1FAAH
SCHEMBL11396726 1.00 EPHX2 (0.50) EPHX2ABCB1SOAT2SOAT1FAAH
SCHEMBL2459296 0.97 EPHX2 (0.50) EPHX2ABCB1SOAT2SOAT1FAAH
SCHEMBL2459293 0.97 EPHX2 (0.50) EPHX2ABCB1SOAT2SOAT1FAAH
SCHEMBL29858682 0.97 EPHX2 (0.50) EPHX2ABCB1SOAT2SOAT1FAAH
SCHEMBL28511759 0.90 ABCB1 (0.46) EPHX2ABCB1ABCC1ALDH1A1TSHR
SCHEMBL158971 0.88 ABCB1 (0.50) EPHX2ABCB1ABCC1ALDH1A1TSHR
SCHEMBL157657 0.88 ABCB1 (0.50) EPHX2ABCB1ABCC1ALDH1A1TSHR
SCHEMBL160144 0.88 ABCB1 (0.50) EPHX2ABCB1ABCC1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4249029-A REACTING ALKYL OR ALKENYL SULFONATE WITH COPPER OR CUPROLITHIUM ORGANIC COMPOUND AIRWICK INDUSTRIES, INC. (US) 1981-02-03 — — US disclosed
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