SCHEMBL20032696

SCHEMBL20032696

CC(C)(C)C(=O)OCCCCCCCl

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PRKCA P17252 3/20 0.37
NAAA Q02083 1/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
TSHR P16473 3/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
EPHX1 P07099 1/20 0.34
ACHE P22303 6/20 0.33

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
SCHEMBL11335039 1.00 POLB (0.39) POLBGAANPSR1PRKCANAAA
SCHEMBL9937565 0.98 POLB (0.40) POLBGAANPSR1PRKCANAAA
SCHEMBL11053725 0.91 POLB (0.41) POLBGAANPSR1PRKCANAAA
SCHEMBL29049106 0.89 POLB (0.44) POLBGAANPSR1PRKCANAAA
SCHEMBL27819169 0.87 POLB (0.46) POLBGAANPSR1PRKCANAAA
SCHEMBL9480414 0.84 CYP4F2 (0.49) NAAACYP4F2CYP4A11TSHRALDH1A1
SCHEMBL3910492 0.82 POLB (0.43) POLBGAANPSR1PRKCACYP4F2
SCHEMBL7989588 0.82 POLB (0.46) POLBGAANPSR1PRKCANAAA
SCHEMBL2533276 0.81 POLB (0.40) POLBGAANPSR1PRKCANAAA
SCHEMBL417576 0.81 NAAA (0.57) NPSR1NAAATSHRALDH1A1EPHX1

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-9939555-B2 Cinnamic acid derivative, polymer thereof, and liquid crystal alignment layer comprising cured product thereof DIC CORPORATION (JP) 2018-04-10 US disclosed