SCHEMBL10880596

SCHEMBL10880596

O=C(c1ccccc1)C(CCCl)(OC(CCCl)(C(=O)c1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 9/20 0.45
MAPK1 P28482 4/20 0.40
HIF1A Q16665 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TRPA1 O75762 1/20 0.40
GSK3B P49841 1/20 0.40
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CES2 O00748 6/20 0.38
SRC P12931 1/20 0.38
CYP1A2 P05177 1/20 0.36
PTPN1 P18031 1/20 0.35
F2 P00734 1/20 0.34

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
SCHEMBL3251384 0.83 CES1 (0.49) CES1MAPK1ALDH1A1TDP1KDM4E
SCHEMBL7945147 0.81 CES1 (0.49) CES1MAPK1HIF1AALDH1A1TDP1
SCHEMBL1260547 0.81 CES1 (0.46) CES1TDP1KMT2ACES2SRC
SCHEMBL868096 0.79 CES1 (0.51) CES1MAPK1HIF1AALDH1A1MAPT
SCHEMBL476563 0.75 CES1 (0.47) CES1HIF1AALDH1A1MAPTHPGD
SCHEMBL9749783 0.75 ALDH1A1 (0.51) CES1MAPK1HIF1AALDH1A1MEN1
SCHEMBL36097 0.71 CES1 (0.59) CES1MAPK1HIF1AHPGDKMT2A
SCHEMBL10456740 0.71 CES1 (0.59) CES1HIF1AALDH1A1MAPTCES2
SCHEMBL135045 0.71 CES1 (0.54) CES1HIF1AALDH1A1CYP3A4CES2
SCHEMBL5574740 0.70 CES1 (0.49) CES1HIF1AALDH1A1MEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0005379-B2 PHOTOSENSITIVE COMPOSITIONS CONTAINING CARBONYLIC HALIDES AS ACTIVATORS Dynachem Corporation (US) 1986-06-04 EP disclosed
US-4552830-A UNSATURATED COMPOUND, FREE RADICAL-PRODUCING PHOTOINITIATOR FLUORA COLOR FORMER, PROTON DONOR DYNACHEM CORPORATION (US) 1985-11-12 US disclosed
US-4343885-A PHOTORESISTS DYNACHEM CORPORATION (US) 1982-08-10 US disclosed
EP-0005379-B1 PHOTOSENSITIVE COMPOSITIONS CONTAINING CARBONYLIC HALIDES AS ACTIVATORS Dynachem Corporation (US) 1981-12-23 EP disclosed
EP-0005379-A2 Photosensitive compositions containing carbonylic halides as activators Dynachem Corporation (US) 1979-11-14 EP disclosed
EP-0005380-A2 Phototropic photosensitive compositions containing a fluoran colorformer Dynachem Corporation (US) 1979-11-14 EP disclosed