SCHEMBL16807126

SCHEMBL16807126

CCc1cc(-c2ccc(C)cc2)ccc1-c1ccc(CCCCCO)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.46
RARA P10276 2/20 0.42
RARG P13631 1/20 0.42
IGF1R P08069 1/20 0.42
ALOX15 P16050 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
MTOR P42345 1/20 0.41
KMT2A Q03164 1/20 0.41
CA2 P00918 2/20 0.40
BCHE P06276 1/20 0.40
FFAR1 O14842 3/20 0.40
FFAR4 Q5NUL3 3/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39

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
SCHEMBL16807134 0.99 RARB (0.44) RARBRARARARGIGF1RALOX15
SCHEMBL16807131 0.94 RARB (0.42) RARBRARARARGIGF1RALOX15
SCHEMBL16807064 0.93 RARB (0.44) RARBRARARARGIGF1RALOX15
SCHEMBL16807103 0.92 RARB (0.43) RARBIGF1RALOX15CA2BCHE
SCHEMBL16807070 0.92 IGF1R (0.44) RARBRARAIGF1RALOX15MEN1
SCHEMBL16807139 0.92 RARB (0.45) RARBRARARARGMEN1ALDH1A1
SCHEMBL16807149 0.90 RARB (0.50) RARBRARARARGMEN1ALDH1A1
SCHEMBL16807098 0.90 IGF1R (0.43) RARBIGF1RALOX15CA2BCHE
SCHEMBL16807146 0.90 RARB (0.53) RARBRARARARGMEN1ALDH1A1
SCHEMBL16807137 0.90 RARB (0.47) RARBRARARARGMEN1ALDH1A1

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