SCHEMBL7950962

SCHEMBL7950962

COC(=O)CCCCCCCCCC=CCC(C)CCO

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ CNR2 P34972 2/20 0.46
▸ DGKA P23743 1/20 0.42
▸ PRKCE Q02156 1/20 0.40
▸ PRKCQ Q04759 1/20 0.40
▸ PRKCD Q05655 1/20 0.40
▸ PRKCA P17252 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ TRPV1 Q8NER1 1/20 0.40
▸ FFAR1 O14842 1/20 0.40
▸ FFAR4 Q5NUL3 1/20 0.40
▸ DEGS1 O15121 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
SCHEMBL7950960 1.00 EPHX2 (0.49) EPHX2ALDH1A1LMNACNR2DGKA
SCHEMBL5479283 0.86 EPHX2 (0.57) EPHX2LMNACNR2DGKAALOX5
SCHEMBL16750691 0.86 EPHX2 (0.57) EPHX2LMNACNR2DGKAALOX5
SCHEMBL5479288 0.86 EPHX2 (0.57) EPHX2LMNACNR2DGKAALOX5
SCHEMBL15506016 0.86 EPHX2 (0.57) EPHX2LMNACNR2DGKAALOX5
SCHEMBL7528574 0.85 ALDH1A1 (0.51) EPHX2ALDH1A1LMNACNR2DGKA
SCHEMBL5479597 0.85 EPHX2 (0.55) EPHX2ALDH1A1LMNACNR2DGKA
SCHEMBL5479599 0.85 EPHX2 (0.55) EPHX2ALDH1A1LMNACNR2DGKA
SCHEMBL5807849 0.85 ALDH1A1 (0.51) EPHX2ALDH1A1LMNACNR2DGKA
SCHEMBL345020 0.85 EPHX2 (0.55) EPHX2ALDH1A1LMNACNR2DGKA

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-6255276-B1 MUSK MACROMOLECULE GIVAUDEN ROURE (INTERNATIONAL) S.A. (CH) 2001-07-03 — — US disclosed
EP-0908455-A1 Macrocycles GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1999-04-14 — — EP disclosed
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