SCHEMBL16639623

SCHEMBL16639623

O=C1CCCCCCC/C=C/C/C=C/CCCCCCCC(=O)OCC(O)CO1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
ATM Q13315 2/20 0.33
CYP2D6 P10635 2/20 0.32
SHH Q15465 2/20 0.31
CYP2C19 P33261 2/20 0.30
CASP1 P29466 1/20 0.30
CYP3A4 P08684 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
SCHEMBL16639619 0.95 CA1 (0.39) CA1CA9ATMCYP2D6SHH
SCHEMBL20412308 0.86 CA1 (0.32) CA1CA9ATM
SCHEMBL29654851 0.84 CA1 (0.48) CA1CA9CYP2D6CYP2C19CASP1
SCHEMBL19676606 0.82 ATM (0.36) CA1CA9ATMCYP2D6CYP2C19
SCHEMBL20412306 0.80 CA1 (0.35) CA1CA9ATMCYP2D6SHH
SCHEMBL10002103 0.79 CA1 (0.50) CA1CA9ATMSHH
SCHEMBL12485299 0.79 CA1 (0.40) CA1CA9ATM
SCHEMBL12485330 0.77 CA1 (0.41) CA1CA9ATM
SCHEMBL12483550 0.77 CA1 (0.52) CA1CA9ATMSHH
SCHEMBL12485315 0.77 CA1 (0.58) CA1CA9ATMSHH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9890348-B2 Natural oil metathesis compositions and methods ELEVANCE RENEWABLE SCIENCES, INC. (US) 2018-02-13 US disclosed
US-20150105566-A1 NATURAL OIL METATHESIS COMPOSITIONS ELEVANCE RENEWABLE SCIENCES, INC. (US) 2015-04-16 US disclosed
US-20150105566-A1 NATURAL OIL METATHESIS COMPOSITIONS ELEVANCE RENEWABLE SCIENCES, INC. (US) 2015-04-16 US disclosed