SCHEMBL9744700

SCHEMBL9744700

CCCCCc1cc(Sc2cc(CCCCC)c(O)cc2CCC)c(CCC)cc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.49
ALOX5 P09917 3/20 0.49
CYP3A4 P08684 2/20 0.49
MEN1 O00255 1/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HMGCR P04035 1/20 0.43
BID P55957 3/20 0.40
MCL1 Q07820 3/20 0.40
BCL2L1 Q07817 2/20 0.40
BAK1 Q16611 2/20 0.40
KAT8 Q9H7Z6 2/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
EP300 Q09472 1/20 0.40

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
SCHEMBL4128177 0.96 TYR (0.51) TYRALOX5CYP3A4MEN1TP53
SCHEMBL9744665 0.95 ALOX5 (0.54) TYRALOX5CYP3A4MEN1TP53
SCHEMBL9744216 0.95 ALOX5 (0.54) TYRALOX5CYP3A4MEN1TP53
SCHEMBL11321268 0.85 ALOX5 (0.63) TYRALOX5CYP3A4MEN1TP53
SCHEMBL143956 0.83 ALOX5 (0.64) TYRALOX5CYP3A4MEN1TP53
SCHEMBL9297525 0.82 TYR (0.48) TYRALOX5CYP3A4MEN1TP53
SCHEMBL9297569 0.81 ALOX5 (0.47) TYRALOX5CYP3A4MEN1TP53
SCHEMBL2484244 0.81 ALOX5 (0.51) TYRALOX5CYP3A4MEN1TP53
SCHEMBL2479859 0.81 ALOX5 (0.51) TYRALOX5CYP3A4MEN1TP53
SCHEMBL9746117 0.81 ALOX5 (0.51) TYRALOX5CYP3A4MEN1TP53

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