SCHEMBL17424499

SCHEMBL17424499

CCC(C)(C)C(=O)OCC(=O)COCOC1C2(C)CCC(C2)C1(C)C

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GPR84 Q9NQS5 1/20 0.35

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
SCHEMBL47528 0.88 CYP3A4 (0.42) CYP3A4CYP2D6CYP2C9CYP2C19TDP1
SCHEMBL17424234 0.85 CYP3A4 (0.40) CYP3A4CYP2D6CYP2C9CYP2C19TDP1
SCHEMBL17424229 0.81 CYP3A4 (0.40) CYP3A4CYP2D6CYP2C9CYP2C19TDP1
SCHEMBL14787816 0.76 CYP3A4 (0.48) CYP3A4CYP2D6CYP2C9CYP2C19TDP1
SCHEMBL14617370 0.76 CYP3A4 (0.33) CYP3A4CYP2D6CYP2C9CYP2C19TDP1
SCHEMBL18898007 0.76 CYP3A4 (0.41) CYP3A4CYP2D6CYP2C9CYP2C19TDP1
SCHEMBL14616376 0.73 CYP3A4 (0.38) CYP3A4CYP2D6CYP2C9CYP2C19TDP1
SCHEMBL11965874 0.73 CYP3A4 (0.47) CYP3A4CYP2D6CYP2C9CYP2C19TDP1
SCHEMBL14617374 0.72 CYP3A4 (0.34) CYP3A4CYP2D6CYP2C9CYP2C19TDP1
SCHEMBL14616375 0.72 CYP3A4 (0.36) CYP3A4CYP2D6CYP2C9CYP2C19TDP1

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-9235122-B2 Monomer, polymer, resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-01-12 US disclosed