SCHEMBL9745295

SCHEMBL9745295

CCCCCCCCCCCCc1cc(Sc2cc(C)c(O)c(CCCCCCCCCCCC)c2)cc(C)c1O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 10/20 0.46
PTGS2 P35354 6/20 0.46
TYR P14679 2/20 0.46
CYP3A4 P08684 2/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ESR1 P03372 1/20 0.39
LIPG Q9Y5X9 1/20 0.38

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
SCHEMBL10894467 1.00 ALOX5 (0.46) ALOX5PTGS2TYRCYP3A4MEN1
SCHEMBL10894181 1.00 ALOX5 (0.46) ALOX5PTGS2TYRCYP3A4MEN1
SCHEMBL4584092 0.93 TYR (0.41) ALOX5PTGS2TYRCYP3A4MEN1
SCHEMBL9744224 0.90 PTGS2 (0.51) ALOX5PTGS2TYRCYP3A4MEN1
SCHEMBL10892002 0.85 ALOX5 (0.47) ALOX5PTGS2TYRCYP3A4MEN1
SCHEMBL10933792 0.82 TYR (0.46) ALOX5PTGS2TYRCYP3A4MEN1
SCHEMBL5268694 0.81 ALOX5 (0.50) ALOX5PTGS2TYRCYP3A4MEN1
SCHEMBL2525138 0.81 ALOX5 (0.50) ALOX5PTGS2TYRCYP3A4MEN1
SCHEMBL296170 0.81 ALOX5 (0.50) ALOX5PTGS2TYRCYP3A4MEN1
SCHEMBL1021186 0.81 ALOX5 (0.50) ALOX5PTGS2TYRCYP3A4MEN1

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-4626259-A ADDITIVE OF ORGANIC NITRATE IGNITION ACCELERATOR AND 4,4'-THIOBISPHENOLS; REDUCED COKING OF INJECTOR NOZZLES ETHYL CORPORATION (US) 1986-12-02 US claimed
EP-0270711-B1 IMPROVED METHOD FOR ROSIN ESTERIFICATION WESTVACO CORPORATION (US) 1992-04-22 EP disclosed
US-4626259-A ADDITIVE OF ORGANIC NITRATE IGNITION ACCELERATOR AND 4,4'-THIOBISPHENOLS; REDUCED COKING OF INJECTOR NOZZLES ETHYL CORPORATION (US) 1986-12-02 US disclosed
US-3991139-A NORBORNENE DERIVATIVES, PHENOLS, ESTER THIOETHERS SHOWA DENKO KABUSHIKI KAISHA (JA) 1976-11-09 US disclosed