SCHEMBL8898532

SCHEMBL8898532

C=Cc1ccc(OC(C)OCC)cc1.OC=Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.43
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
PPARA Q07869 5/20 0.39
PPARG P37231 3/20 0.39
TP53 P04637 2/20 0.38
CYP2D6 P10635 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MTOR P42345 2/20 0.38
CYP3A4 P08684 2/20 0.38
NPC1 O15118 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
CHRNA7 P36544 3/20 0.37
PPARD Q03181 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37

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
4-Vinylphenol SCHEMBL6554378 0.87 RELA (0.39) RELALTB4RLTB4R2PPARAPPARG
SCHEMBL8897481 0.87 TRPA1 (0.44) RELALTB4RLTB4R2PPARAPPARG
SCHEMBL27224303 0.85 RELA (0.59) RELAPPARAPPARGTP53CYP2D6
SCHEMBL134315 0.85 CHRNB2 (0.42) RELALTB4RLTB4R2PPARAPPARG
4-Vinylphenol SCHEMBL8516846 0.81 CHRNB2 (0.38) NPC1MAPK1CHRNA7MEN1KMT2A
SCHEMBL23559184 0.81 CHRNB2 (0.40) RELANPC1CHRNA7CHRNB2ALDH1A1
SCHEMBL5378196 0.80 ABL1 (0.36) RELALTB4RLTB4R2CHRNA7MEN1
Styrene SCHEMBL9861667 0.79 ALDH1A1 (0.54) RELATP53CHRNA7MEN1KMT2A
SCHEMBL6279120 0.79 BCHE (0.37) RELALTB4RLTB4R2CYP3A4NPC1
SCHEMBL8898528 0.78 LTB4R (0.44) RELALTB4RLTB4R2PPARAPPARG

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
US-5670299-A COATING A PHOTORESISTS POLYMER ON A SUBSTRATE, DEVELOPMENT AND HEAT TREATMENT WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1997-09-23 US disclosed