SCHEMBL9615481

SCHEMBL9615481

C=Cc1ccccc1OC.C=Cc1ccccc1OC(C)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.54
NFE2L2 Q16236 2/20 0.51
TFEB P19484 1/20 0.51
PTGS1 P23219 2/20 0.50
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP3A4 P08684 1/20 0.49
LMNA P02545 4/20 0.46
MAPT P10636 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
BCHE P06276 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
TSHR P16473 2/20 0.46
HSD17B10 Q99714 2/20 0.46
ESR1 P03372 1/20 0.46
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
HMGB1 P09429 1/20 0.46

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
SCHEMBL58004 0.93 PTGS2 (0.52) KDM4EPTGS1KMT2AMEN1ALDH1A1
SCHEMBL30706195 0.93 PTGS2 (0.52) KDM4EPTGS1KMT2AMEN1ALDH1A1
Ethylene SCHEMBL27547726 0.91 PTGS2 (0.50) KDM4EPTGS1KMT2AMEN1ALDH1A1
Water SCHEMBL27837589 0.91 PTGS2 (0.50) KDM4EPTGS1KMT2AMEN1ALDH1A1
Benzene SCHEMBL29242020 0.91 PTGS2 (0.55) KDM4EPTGS1KMT2AMEN1ALDH1A1
Methane SCHEMBL27458309 0.91 PTGS2 (0.50) KDM4EPTGS1KMT2AMEN1ALDH1A1
Propene SCHEMBL27727110 0.90 PTGS2 (0.49) KDM4EPTGS1KMT2AMEN1ALDH1A1
SCHEMBL28175026 0.88 PTGS2 (0.47) KDM4EPTGS1KMT2AMEN1ALDH1A1
Styrene SCHEMBL9350035 0.85 PTGS2 (0.49) KDM4EPTGS1KMT2AMEN1ALDH1A1
SCHEMBL28251047 0.85 PTGS2 (0.45) KDM4EPTGS1KMT2AMEN1ALDH1A1

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-5120637-A Storage stability FUJI PHOTO FILM CO., LTD. (JP) 1992-06-09 US disclosed