SCHEMBL4735401

SCHEMBL4735401

CCC(F)Cc1cc(O)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
EGFR P00533 3/20 0.41
TYR P14679 5/20 0.38
CYP3A4 P08684 3/20 0.36
ALOX15 P16050 3/20 0.36
TP53 P04637 2/20 0.36
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 1/20 0.36
ALOX5 P09917 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 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
SCHEMBL5015560 0.82 PRKCI (0.54) GABRA1GABRB2CYP3A4ALOX15TDP1
SCHEMBL11673857 0.78 HTR2A (0.42) GABRA1GABRB2EGFRTYRTDP1
SCHEMBL5877825 0.76 GABRA1 (0.68) GABRA1GABRB2EGFRTYRCYP3A4
SCHEMBL14283781 0.75 GABRA1 (0.43) GABRA1GABRB2EGFRTYRCYP3A4
SCHEMBL111318 0.74 EGFR (0.47) GABRA1GABRB2EGFRTYRCYP3A4
SCHEMBL19902003 0.74 TYR (0.40) GABRA1GABRB2EGFRTYRCYP3A4
SCHEMBL29408416 0.73 ESR1 (0.57) EGFRTYRCYP3A4ALOX15TP53
SCHEMBL71448 0.73 ESR1 (0.57) EGFRTYRCYP3A4ALOX15TP53
SCHEMBL632575 0.73 HTR1A (0.54) GABRA1GABRB2CYP1A2CYP2C9CYP2C19
SCHEMBL9169831 0.73 GABRA1 (0.48) GABRA1GABRB2EGFRTYRCYP3A4

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
WO-2008066758-A1 METHODS FOR PURIFYING SILOXANYL MONOMERS JOHNSON & JOHNSON VISION CARE, INC. (US) 2008-06-05 WO disclosed