SCHEMBL11095669

SCHEMBL11095669

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)c1cc(O)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.47
TP53 P04637 2/20 0.47
CYP3A4 P08684 2/20 0.47
HTT P42858 2/20 0.47
TSHR P16473 2/20 0.47
MEN1 O00255 1/20 0.47
ALOX5 P09917 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NAAA Q02083 1/20 0.43
RORC P51449 1/20 0.42
GPR84 Q9NQS5 1/20 0.41
ESR1 P03372 2/20 0.41
ADRA2A P08913 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
TACR2 P21452 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41

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
SCHEMBL4354699 1.00 TYR (0.47) TYRTP53CYP3A4HTTTSHR
SCHEMBL10600531 1.00 TYR (0.47) TYRTP53CYP3A4HTTTSHR
SCHEMBL11804812 1.00 TYR (0.47) TYRTP53CYP3A4HTTTSHR
SCHEMBL419569 1.00 TYR (0.47) TYRTP53CYP3A4HTTTSHR
SCHEMBL8639228 1.00 TYR (0.47) TYRTP53CYP3A4HTTTSHR
SCHEMBL11647604 1.00 TYR (0.47) TYRTP53CYP3A4HTTTSHR
SCHEMBL7552547 1.00 TYR (0.47) TYRTP53CYP3A4HTTTSHR
SCHEMBL11310384 0.98 TYR (0.46) TYRTP53CYP3A4HTTTSHR
SCHEMBL8861378 0.98 TYR (0.45) TYRTP53CYP3A4HTTTSHR
Methoxymethane SCHEMBL11363493 0.95 CYP3A4 (0.44) TYRTP53CYP3A4HTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE31771-E REACTING AN ORTHO-UNSUBSTITUTED PHENOL AND A DISULFIDE USING AN ALUMINUM PHENOXIDE CATALYST ETHYL CORPORATION (US) 1984-12-18 US disclosed
US-4324920-A REACTION OF A PHENOL WITH A HYDROCARBYL DISULFIDE IN THE PRESENCE OF AN ALUMINUM PHENOXIDE ETHYL CORPORATION (US) 1982-04-13 US disclosed
US-3960962-A AMMONIA, PALLADIUM-PHOSPHINATED POLYSTYRENE RESIN CATALYST ETHYL CORPORATION (US) 1976-06-01 US disclosed
US-3931298-A FROM A HYDROXYAROMATIC AND AMMONIA, GROUP 8-CYCLOHEXANONE CATALYST ETHYL CORPORATION (US) 1976-01-06 US disclosed