SCHEMBL4007907

SCHEMBL4007907

CC=C(CCC(C)C)C(=O)OC1CCCCCCC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.40
EPHX1 P07099 3/20 0.39
HTT P42858 2/20 0.36
CYP19A1 P11511 2/20 0.35
CYP2C19 P33261 1/20 0.34
CTSD P07339 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
CA1 P00915 2/20 0.32
MMP2 P08253 1/20 0.32
MMP8 P22894 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL27914025 0.85 NAAA (0.36) NAAAEPHX1HTTCYP19A1CYP2C19
SCHEMBL29117608 0.82 NAAA (0.50) NAAAEPHX1HTTCYP19A1CYP2C19
SCHEMBL5158628 0.79 NAAA (0.41) NAAAEPHX1HTTCYP19A1CYP2C19
SCHEMBL5454946 0.78 EPHX1 (0.49) NAAAEPHX1HTTCYP19A1CYP2C19
SCHEMBL585907 0.78 NAAA (0.57) NAAAEPHX1HTTCYP19A1CYP2C19
SCHEMBL16168018 0.78 EPHX1 (0.49) NAAAEPHX1HTTCYP19A1CYP2C19
SCHEMBL1027719 0.78 EPHX1 (0.49) NAAAEPHX1HTTCYP19A1CYP2C19
SCHEMBL27768655 0.77 NAAA (0.65) NAAAEPHX1HTTALDH1A1
SCHEMBL13667127 0.76 NAAA (0.56) NAAAEPHX1HTTCYP19A1CYP2C19
SCHEMBL1993741 0.76 NAAA (0.46) NAAAEPHX1HTTCYP19A1CYP2C19

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
WO-2009085759-A1 SEGMENTED REACTIVE BLOCK COPOLYMERS BAUSCH & LOMB INCORPORATED (US) 2009-07-09 WO disclosed