SCHEMBL9981871

SCHEMBL9981871

Cc1cccc2cc3c(cc12)CCC(=O)C31CC2=CCC1C2

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL9981432 0.96 ALDH1A1 (0.30) ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL1739220 0.87
SCHEMBL9981730 0.87
SCHEMBL9982398 0.87
SCHEMBL9982083 0.87 KDM4E (0.31) ALDH1A1HPGD
SCHEMBL9982141 0.86
SCHEMBL9981672 0.86 ALDH1A1 (0.34) ALDH1A1HPGDHSD17B10
SCHEMBL9982888 0.85 EDNRB (0.30)
SCHEMBL1739240 0.85 GRM1 (0.31) ALDH1A1CYP1A2HPGD
SCHEMBL9982907 0.84

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-8211514-B2 Reverse dispersion retardation film and liquid crystal display device using the same JX NIPPON OIL & ENERGY CORPORATION (JP) 2012-07-03 US disclosed