SCHEMBL16807161

SCHEMBL16807161

CCc1cc(CCCCO)ccc1-c1ccc(CCc2ccc(C)cc2)cc1CC

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.49
ALOX15 P16050 1/20 0.49
BCHE P06276 2/20 0.43
CYP4A11 Q02928 4/20 0.42
CYP4F2 P78329 3/20 0.42
CA2 P00918 2/20 0.41
RARB P10826 2/20 0.40
BACE1 P56817 2/20 0.37
DAO P14920 1/20 0.37
GPR84 Q9NQS5 1/20 0.36

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
SCHEMBL16807162 0.98 IGF1R (0.47) IGF1RALOX15BCHECYP4A11CYP4F2
SCHEMBL16807159 0.95 IGF1R (0.46) IGF1RALOX15BCHECYP4A11CYP4F2
SCHEMBL16807167 0.91 CYP4A11 (0.47) IGF1RALOX15BCHECYP4A11CYP4F2
SCHEMBL16807070 0.90 IGF1R (0.44) IGF1RALOX15BCHECYP4A11CYP4F2
SCHEMBL16807173 0.89 BCHE (0.43) BCHECYP4A11CYP4F2CA2RARB
SCHEMBL16807179 0.89 RARB (0.47) BCHECYP4A11CYP4F2RARB
SCHEMBL16807174 0.89 RARB (0.44) BCHECYP4A11CYP4F2CA2RARB
SCHEMBL16807166 0.89 BCHE (0.47) BCHECYP4A11CYP4F2CA2RARB
SCHEMBL16807160 0.89 CYP4F2 (0.42) IGF1RALOX15CYP4A11CYP4F2CA2
SCHEMBL16807064 0.88 RARB (0.44) IGF1RALOX15BCHECYP4A11CYP4F2

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-20150166890-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2015-06-18 US disclosed
US-20150166890-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2015-06-18 US disclosed