SCHEMBL11084666

SCHEMBL11084666

O=C(c1ccccc1)C(OCCCCCl)(OCCCCCl)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.53
TDP1 Q9NUW8 1/20 0.41
PPARA Q07869 2/20 0.37
MAPK1 P28482 2/20 0.37
HIF1A Q16665 2/20 0.37
TRPA1 O75762 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GSK3B P49841 1/20 0.37
TBXA2R P21731 4/20 0.35
SRC P12931 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
CYP1A2 P05177 1/20 0.33

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
SCHEMBL11083597 0.95 CES1 (0.54) CES1TDP1PPARAMAPK1HIF1A
SCHEMBL3272321 0.89 CES1 (0.57) CES1TDP1MAPK1HIF1ATRPA1
SCHEMBL9303826 0.84 CES1 (0.55) CES1MAPK1ALDH1A1
SCHEMBL13754160 0.84 CES1 (0.55) CES1MAPK1ALDH1A1
SCHEMBL11171387 0.83 CES1 (0.58) CES1TDP1MAPK1ALDH1A1SRC
SCHEMBL9860776 0.81 CES1 (0.64) CES1TDP1HIF1AALDH1A1SRC
SCHEMBL11483102 0.80 CES1 (0.54) CES1MAPK1ALDH1A1
SCHEMBL11080785 0.80 CES1 (0.57) CES1TDP1MAPK1HIF1AGSK3B
SCHEMBL11483703 0.78 CES1 (0.56) CES1ALDH1A1SRC
SCHEMBL3266492 0.78 CES1 (0.65) CES1TDP1ALDH1A1SRC

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
US-4480094-A PHOTOINITIATOR TEIJIN LIMITED (JP) 1984-10-30 US disclosed
US-4400519-A PHOTOPOLYMERIZATION INITIATORS TEIJIN LIMITED (JP) 1983-08-23 US disclosed