SCHEMBL8746733

SCHEMBL8746733

CCCCCCCCCCCCc1cc(-c2ccc(O)cc2)c(CCCCCCCCCCCC)cc1-c1ccc(O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.59
CYP3A4 P08684 3/20 0.59
TYR P14679 3/20 0.59
TP53 P04637 2/20 0.59
MAPT P10636 2/20 0.59
MEN1 O00255 1/20 0.59
ALOX15 P16050 1/20 0.59
TSHR P16473 1/20 0.59
HTT P42858 1/20 0.59
KMT2A Q03164 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
PTGS2 P35354 7/20 0.56
ESR1 P03372 3/20 0.56
ADRA2A P08913 2/20 0.56
ADORA3 P0DMS8 2/20 0.56
TACR2 P21452 2/20 0.56
SLC6A2 P23975 2/20 0.56
SLC6A4 P31645 2/20 0.56
SLC6A3 Q01959 2/20 0.56
KDM4E B2RXH2 1/20 0.56

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
SCHEMBL8746728 1.00 ALOX5 (0.59) ALOX5CYP3A4TYRTP53MAPT
SCHEMBL10438718 0.90 ALOX5 (0.60) ALOX5CYP3A4TYRTP53MAPT
SCHEMBL19854457 0.88 TP53 (0.54) ALOX5CYP3A4TYRTP53MAPT
SCHEMBL19854385 0.88 TP53 (0.54) ALOX5CYP3A4TYRTP53MAPT
SCHEMBL20407416 0.86 CYP3A4 (0.51) ALOX5CYP3A4TYRTP53MAPT
SCHEMBL28182776 0.85 TYR (0.51) ALOX5CYP3A4TYRTP53MAPT
SCHEMBL10441218 0.83 ESR1 (0.53) ALOX5CYP3A4TYRTP53MAPT
SCHEMBL10441002 0.83 ESR1 (0.53) ALOX5CYP3A4TYRTP53MAPT
SCHEMBL27434597 0.83 ESR1 (0.53) ALOX5CYP3A4TYRTP53MAPT
SCHEMBL28138649 0.83 ESR1 (0.53) ALOX5CYP3A4TYRTP53MAPT

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
EP-0760251-A1 A membrane and method for the separation of aromatic hydrocarbons from a mixture of various aromatic hydrocarbons or from a mixture of such aromatic hydrocarbons and non-aromatic hydrocarbons NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 1997-03-05 EP disclosed