SCHEMBL13614014

SCHEMBL13614014

CCC(C)(C)C(=O)OC(OC1C2(C)CCC(C2)C1(C)C)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL13614016 0.91 GPR84 (0.34) GPR84CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL13614017 0.88 GPR84 (0.34) GPR84CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL13614015 0.84 GPR84 (0.33) GPR84CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL13614018 0.83 GPR84 (0.35) GPR84CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL13614024 0.81 GPR84 (0.36) GPR84CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL47433 0.81 GPR84 (0.39) GPR84CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL13614019 0.80 GPR84 (0.38) GPR84CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL13614026 0.78 GPR84 (0.32) GPR84CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL16591028 0.78 ALDH1A1 (0.32) ALDH1A1
SCHEMBL13613996 0.77 ALDH1A1 (0.39) CYP2D6CYP2C19ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7611821-B2 Positive resist compositions and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-11-03 US disclosed
US-20080008961-A1 POSITIVE RESIST COMPOSITIONS AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2008-01-10 US disclosed