SCHEMBL9706286

SCHEMBL9706286

CCCCc1ccc(O)c(Cl)c1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.54
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX5 P09917 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CTRC Q99895 1/20 0.42
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ELANE P08246 1/20 0.37
CTSG P08311 1/20 0.37
ESR1 P03372 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
SCHEMBL70495 0.83 TYR (0.56) TYRHTTMEN1TP53CYP3A4
SCHEMBL5886405 0.82 TYR (0.65) TYRHTTMEN1TP53CYP3A4
SCHEMBL8089662 0.81 CTRC (0.44) TYRHTTMEN1TP53CYP3A4
SCHEMBL10157301 0.81 CTRC (0.49) TYRHTTMEN1TP53CYP3A4
SCHEMBL14824915 0.81 CTRC (0.44) TYRHTTMEN1TP53CYP3A4
SCHEMBL5676330 0.81 TYR (0.62) TYRHTTMEN1TP53CYP3A4
SCHEMBL709628 0.81 TYR (0.58) TYRHTTMEN1TP53CYP3A4
SCHEMBL11866128 0.80 TYR (0.62) TYRHTTMEN1TP53CYP3A4
SCHEMBL9717548 0.79 TYR (0.56) TYRHTTMEN1TP53CYP3A4
SCHEMBL28796605 0.78 TYR (0.54) TYRHTTMEN1TP53CYP3A4

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-1992010992-A1 ORAL COMPOSITIONS EFFECTIVE AGAINST PLAQUE AND GINGIVITIS THE PROCTER & GAMBLE COMPANY (US) 1992-07-09 WO disclosed