SCHEMBL9744241

SCHEMBL9744241

CCCCCc1cc(O)c(C(C)(C)CC(C)(C)C)cc1Sc1cc(C(C)(C)CC(C)(C)C)c(O)cc1CCCCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.39
CYP3A4 P08684 3/20 0.39
TYR P14679 3/20 0.39
TP53 P04637 2/20 0.39
ALOX15 P16050 2/20 0.39
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
BID P55957 3/20 0.35
MCL1 Q07820 3/20 0.35
BCL2L1 Q07817 2/20 0.35
BAK1 Q16611 2/20 0.35
KAT8 Q9H7Z6 2/20 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
SCHEMBL9744248 0.89 TP53 (0.39) ALOX5CYP3A4TYRTP53ALOX15
SCHEMBL31267398 0.85 ALOX15 (0.50) ALOX5CYP3A4TYRTP53ALOX15
SCHEMBL2477818 0.82 ALOX15 (0.53) ALOX5CYP3A4TYRTP53ALOX15
SCHEMBL14308413 0.80 TYR (0.46) ALOX5CYP3A4TYRTP53ALOX15
SCHEMBL4128177 0.78 TYR (0.51) ALOX5CYP3A4TYRTP53ALOX15
SCHEMBL9744665 0.77 ALOX5 (0.54) ALOX5CYP3A4TYRTP53ALOX15
SCHEMBL9744216 0.77 ALOX5 (0.54) ALOX5CYP3A4TYRTP53ALOX15
SCHEMBL2481099 0.75 ALOX15 (0.66) CYP3A4TP53ALOX15TSHRTDP1
SCHEMBL9744700 0.75 TYR (0.49) ALOX5CYP3A4TYRTP53ALOX15
SCHEMBL2483068 0.75 ALOX15 (0.56) CYP3A4TYRTP53ALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0270711-B1 IMPROVED METHOD FOR ROSIN ESTERIFICATION WESTVACO CORPORATION (US) 1992-04-22 EP disclosed
US-3991139-A NORBORNENE DERIVATIVES, PHENOLS, ESTER THIOETHERS SHOWA DENKO KABUSHIKI KAISHA (JA) 1976-11-09 US disclosed