SCHEMBL9718966

SCHEMBL9718966

O=C1CCC(C(=O)OCCO)O1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
PRKCA P17252 3/20 0.33
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
CYP1A2 P05177 2/20 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
SCHEMBL14403409 0.82 CYP1A2 (0.44) CYP4F2CYP4A11PRKCATSHRCYP1A2
SCHEMBL450807 0.81 CYP4F2 (0.51) CYP4F2CYP4A11CA1CA9GAA
SCHEMBL5634387 0.81 CYP4F2 (0.51) CYP4F2CYP4A11CA1CA9GAA
SCHEMBL11471259 0.81 CYP4F2 (0.51) CYP4F2CYP4A11CA1CA9GAA
SCHEMBL18116188 0.80 CYP4F2 (0.32) CYP4F2CYP4A11CA1CA9
SCHEMBL10172829 0.79 CYP4F2 (0.32) CYP4F2CYP4A11
SCHEMBL16213961 0.76 CYP4F2 (0.33) CYP4F2CYP4A11CA1CA9
SCHEMBL16214018 0.74 MEN1 (0.34) CYP4F2CYP4A11
SCHEMBL12104210 0.74 CA1 (0.43) CYP4F2CYP4A11CA1CA9PRKCA
SCHEMBL21389240 0.74 CA1 (0.43) CYP4F2CYP4A11CA1CA9PRKCA

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
US-5106525-A Also contains organic acid and water, for removal of highly crosslinked coatings ARCO CHEMICAL TECHNOLOGY, L.P. (US) 1992-04-21 US disclosed