SCHEMBL1898745

SCHEMBL1898745

C=COC(=O)c1ccccc1C1CC2CCC1(C)C2

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2D6 P10635 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NLRP3 Q96P20 14/20 0.36
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
KCNH2 Q12809 1/20 0.31

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
SCHEMBL1897655 0.83 CNR2 (0.32) CYP2C9CYP3A4CYP2C19CYP2D6TDP1
SCHEMBL3845915 0.71 AKR1C3 (0.39) CYP3A4LMNACYP1A2
SCHEMBL1898638 0.70 CYP2C19 (0.42) CYP2C9CYP3A4CYP2C19CYP2D6TDP1
SCHEMBL6552825 0.69 PTGDR2 (0.44) CYP3A4CYP2D6ALDH1A1LMNAKCNH2
SCHEMBL1899854 0.67 KDM4E (0.39) CYP3A4ALDH1A1
SCHEMBL1899189 0.67 CYP3A4 (0.34) CYP2C9CYP3A4CYP2C19CYP2D6TDP1
SCHEMBL15175 0.67 CYP3A4 (0.55) CYP3A4TDP1ALDH1A1LMNA
SCHEMBL1898567 0.66 CNR2 (0.35) CYP2C9CYP3A4CYP2C19ALDH1A1LMNA
SCHEMBL29197935 0.65 CYP3A4 (0.50) CYP3A4TDP1ALDH1A1LMNA
SCHEMBL1901843 0.65 KDM4E (0.39) TDP1ALDH1A1

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-20110101503-A1 HYPERBRANCHED POLYMER SYNTHESIZING METHOD, HYPERBRANCHED POLYMER, RESIST COMPOSITION, SEMICONDUCTOR INTEGRATED CIRCUIT, AND SEMICONDUCTOR INTEGRATED CIRCUIT FABRICATION METHOD LION CORPORATION (JP) 2011-05-05 US disclosed