SCHEMBL9302512

SCHEMBL9302512

CCCCCCCCCCOC(OC)(C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.63
TSHR P16473 3/20 0.42
CES2 O00748 2/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 2/20 0.41
NAAA Q02083 1/20 0.41
PLA2G4B P0C869 2/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
RARB P10826 1/20 0.39

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
SCHEMBL13754160 0.93 CES1 (0.55) CES1TSHRCES2LMNAALDH1A1
SCHEMBL9303826 0.93 CES1 (0.55) CES1TSHRCES2LMNAALDH1A1
SCHEMBL11171387 0.87 CES1 (0.58) CES1TSHRCES2LMNAALDH1A1
SCHEMBL9303099 0.85 CES1 (0.50) CES1TSHRCES2LMNAALDH1A1
SCHEMBL14523014 0.83 CES1 (0.71) CES1TSHRLMNAALDH1A1MAPK1
SCHEMBL5598169 0.83 CES1 (0.75) CES1TSHRCES2LMNAALDH1A1
SCHEMBL9860776 0.82 CES1 (0.64) CES1TSHRCES2LMNAALDH1A1
SCHEMBL28881924 0.82 CES1 (0.57) CES1TSHRLMNAALDH1A1TP53
SCHEMBL10609830 0.81 TSHR (0.44) CES1TSHRCES2LMNAALDH1A1
SCHEMBL1470605 0.81 TSHR (0.44) CES1TSHRCES2LMNAALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5288917-A Benzil ketals; end-capped polyoxyyethylene glycol; mixed with titanocene-type initiators CIBA-GEIGY CORPORATION (US) 1994-02-22 US disclosed
EP-0242330-B1 LIQUID BLEND OF PHOTOINITIATORS CIBA-GEIGY AG (CH) 1990-05-16 EP disclosed
EP-0242330-A1 Liquid blend of photoinitiators CIBA-GEIGY AG (CH) 1987-10-21 EP disclosed