SCHEMBL13445751

SCHEMBL13445751

C=C(C)C(=O)OC(OC1C2(C)CCC(C2)C1(C)C)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SCN9A Q15858 1/20 0.30
CTSV O60911 1/20 0.30
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 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
SCHEMBL14982779 0.83 GPR84 (0.41) GPR84CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4941894 0.78 CYP3A4 (0.50) GPR84CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3692737 0.73 CYP3A4 (0.43) GPR84CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL13445840 0.73 CYP3A4 (0.43) GPR84CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL11965883 0.72 GPR84 (0.44) GPR84CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL16591084 0.71 GPR84 (0.45) GPR84CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL16706530 0.71 ALDH1A1 (0.31)
SCHEMBL372920 0.70 ALDH1A1 (0.44) TDP1
SCHEMBL47433 0.69 GPR84 (0.39) GPR84CYP3A4CYP2D6CYP2C9CYP2C19
Fenchyl Alcohol SCHEMBL2828537 0.68 ALDH1A1 (0.38) GPR84CYP3A4CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687222-B2 Polymerizable ester compounds, polymers, resist compositions and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-03-30 US disclosed
US-7687222-B2 Polymerizable ester compounds, polymers, resist compositions and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-03-30 US disclosed
US-20080008962-A1 Polymerizable ester compounds, polymers, resist compositions and patterning process SHIN-ETSU CHEMICAL CO., LTD. 2008-01-10 US disclosed
US-20080008962-A1 Polymerizable ester compounds, polymers, resist compositions and patterning process SHIN-ETSU CHEMICAL CO., LTD. 2008-01-10 US disclosed