SCHEMBL9225394

SCHEMBL9225394

C=C(C)C(=O)OC1CCCCC1.C=C(CC(C)(C)C)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 1/20 0.37
EPHX1 P07099 2/20 0.36
NAAA Q02083 2/20 0.34
HTT P42858 2/20 0.33
CYP19A1 P11511 1/20 0.33
CYP2C19 P33261 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CHRM2 P08172 2/20 0.31
CHRM4 P08173 2/20 0.31
CHRM5 P08912 2/20 0.31
CHRM1 P11229 2/20 0.31
CHRM3 P20309 2/20 0.31
ALDH1A1 P00352 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
SCHEMBL235351 0.85 EPHX1 (0.42) EPHX1NAAAHTTCYP19A1CYP2C19
Methacrylic Acid SCHEMBL28560315 0.83 EPHX1 (0.42) EPHX1NAAAHTTCYP19A1CYP2C19
Methacrylic Acid SCHEMBL546867 0.83 EPHX1 (0.42) EPHX1NAAAHTTCYP19A1CYP2C19
SCHEMBL10477467 0.81 NAAA (0.38) EPHX1NAAAHTTCYP19A1CYP2C19
Methacrylic Acid SCHEMBL17601853 0.81 EPHX1 (0.39) EPHX1NAAAHTTCYP19A1CYP2C19
Bicarbonate SCHEMBL13570854 0.81 EPHX1 (0.43) EPHX1NAAAHTTCYP19A1CYP2C19
Methacrylic Acid SCHEMBL7617074 0.81 EPHX1 (0.39) EPHX1NAAAHTTCYP19A1CYP2C19
SCHEMBL22480 0.81 EPHX1 (0.46) EPHX1NAAAHTTCYP19A1CYP2C19
SCHEMBL16297135 0.81 EPHX1 (0.46) EPHX1NAAAHTTCYP19A1CYP2C19
SCHEMBL1052594 0.81 EPHX1 (0.46) EPHX1NAAAHTTCYP19A1CYP2C19

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
EP-0661319-A1 Improved high solids coatings suitable for ambient cure BASF CORPORATION (US) 1995-07-05 EP disclosed