SCHEMBL7562102

SCHEMBL7562102

CCCCc1cc(C(C)C)cc(CC)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.41
TYR P14679 2/20 0.41
ALOX5 P09917 5/20 0.39
PTGS2 P35354 3/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
GABRA1 P14867 2/20 0.36
GABRB2 P47870 2/20 0.36
ELANE P08246 1/20 0.36
CTSG P08311 1/20 0.36
MAOA P21397 1/20 0.36
FFAR1 O14842 1/20 0.36
HTT P42858 2/20 0.35
ALOX15 P16050 2/20 0.35
MAPK1 P28482 2/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALOX12 P18054 1/20 0.35

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
SCHEMBL31337454 0.87 GABRA1 (0.46) TYRCYP1A2CYP2D6GABRA1GABRB2
SCHEMBL4755155 0.84 GABRA1 (0.52) TYRALOX5PTGS2CYP1A2CYP2D6
SCHEMBL13895963 0.81 TYR (0.46) EGFRTYRALOX5PTGS2GABRA1
SCHEMBL8037388 0.80 TYR (0.42) EGFRTYRALOX5PTGS2CYP2D6
SCHEMBL1023755 0.79 HTT (0.46) EGFRTYRALOX5PTGS2GABRA1
SCHEMBL1023152 0.79 HPGD (0.52) EGFRTYRALOX5PTGS2GABRA1
SCHEMBL30628001 0.79 HPGD (0.52) EGFRTYRALOX5PTGS2GABRA1
SCHEMBL1020399 0.79 EGFR (0.44) EGFRTYRALOX5PTGS2GABRA1
SCHEMBL872522 0.79 EGFR (0.43) EGFRTYRALOX5PTGS2GABRA1
SCHEMBL4854736 0.79 EGFR (0.43) EGFRTYRALOX5PTGS2GABRA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1227111-A1 TRIPHENYLBORON-CONTAINING POLYMERS AND USE THEREOF Yoshitomi Fine Chemicals, Ltd. (JP) 2002-07-31 EP disclosed
CN-1214067-A Triphenylborane-rosin amine adduct and use of same YOSHITAMI FINE CHEMICALS LTD (JP) 1999-04-14 CN disclosed
EP-0877061-A1 TRIPHENYLBORANE-ROSIN AMINE ADDUCT AND USE OF THE SAME Yoshitomi Fine Chemicals, Ltd. (JP) 1998-11-11 EP disclosed