SCHEMBL9981900

SCHEMBL9981900

Cc1ccc2cc3c(cc2c1)CCC(=O)C31CC2=CCC1C2

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2A6 P11509 3/20 0.33
CYP1A2 P05177 2/20 0.33
METAP1 P53582 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
ACHE P22303 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
SCHEMBL9981588 1.00 ALDH1A1 (0.34) ALDH1A1CYP3A4CYP2A6CYP1A2METAP1
SCHEMBL9982791 0.89 ALDH1A1 (0.34) ALDH1A1CYP3A4METAP1ACHE
SCHEMBL9981387 0.88 ALDH1A1 (0.41) ALDH1A1CYP3A4METAP1ACHE
SCHEMBL1739240 0.87 GRM1 (0.31) ALDH1A1CYP1A2
SCHEMBL1740579 0.86 HPGD (0.35)
SCHEMBL9981832 0.86
SCHEMBL1739223 0.86 HPGD (0.35)
SCHEMBL9981735 0.86
SCHEMBL9981791 0.86 ALDH1A1 (0.36) ALDH1A1CYP3A4CYP2A6CYP1A2METAP1
SCHEMBL9982534 0.86 ALDH1A1 (0.36) ALDH1A1CYP3A4CYP2A6CYP1A2METAP1

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