SCHEMBL16639619

SCHEMBL16639619

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
ATM Q13315 2/20 0.35
CYP2D6 P10635 2/20 0.34
SHH Q15465 3/20 0.33
CYP2C19 P33261 2/20 0.32
CYP3A4 P08684 2/20 0.32
CASP1 P29466 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL16639623 0.95 CA1 (0.35) CA1CA9ATMCYP2D6SHH
SCHEMBL29654851 0.88 CA1 (0.48) CA1CA9CYP2D6CYP2C19CYP3A4
SCHEMBL19676606 0.87 ATM (0.36) CA1CA9ATMCYP2D6CYP2C19
SCHEMBL20412306 0.84 CA1 (0.35) CA1CA9ATMCYP2D6SHH
SCHEMBL8465513 0.77 CYP2D6 (0.41) CA1CA9ATMCYP2D6CYP2C19
SCHEMBL8465514 0.77 CYP2D6 (0.41) CA1CA9ATMCYP2D6CYP2C19
SCHEMBL23438526 0.76 CA1 (0.70) CA1CA9ATMSHHALDH1A1
SCHEMBL22734494 0.76 CA1 (0.62) CA1CA9ATMSHHALDH1A1
SCHEMBL22759100 0.76 CA1 (0.70) CA1CA9ATMSHHALDH1A1
SCHEMBL21273867 0.76 CA1 (0.62) CA1CA9ATMSHHALDH1A1

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-2864447-B3 NATURAL OIL METATHESIS COMPOSITIONS ELEVANCE RENEWABLE SCIENCES (US) 2019-07-17 EP disclosed
US-9890348-B2 Natural oil metathesis compositions and methods ELEVANCE RENEWABLE SCIENCES, INC. (US) 2018-02-13 US disclosed
EP-2864447-B1 NATURAL OIL METATHESIS COMPOSITIONS ELEVANCE RENEWABLE SCIENCES (US) 2017-12-06 EP 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