SCHEMBL2877979

SCHEMBL2877979

O=C(Cc1ccccc1)OOOC(=O)Cc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.63
MAPK1 P28482 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
PAM P19021 1/20 0.61
TSHR P16473 1/20 0.59
CES1 P23141 2/20 0.58
CES2 O00748 1/20 0.58
AKR1B1 P15121 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.53
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
CYP19A1 P11511 1/20 0.48
FNTA P49354 1/20 0.48
FNTB P49356 1/20 0.48
CTBP2 P56545 1/20 0.47
EPHX2 P34913 1/20 0.47

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
SCHEMBL664857 0.93 ALDH1A1 (0.65) ALDH1A1MAPK1L3MBTL1PAMTSHR
Benzene SCHEMBL9407299 0.93 ALDH1A1 (0.65) ALDH1A1MAPK1L3MBTL1PAMTSHR
SCHEMBL4966165 0.85 TSHR (0.58) ALDH1A1MAPK1L3MBTL1PAMTSHR
SCHEMBL248113 0.83 ALDH1A1 (0.65) ALDH1A1MAPK1L3MBTL1PAMTSHR
SCHEMBL3682233 0.83 TSHR (0.56) ALDH1A1MAPK1L3MBTL1PAMTSHR
SCHEMBL27237677 0.83 ALDH1A1 (0.55) ALDH1A1MAPK1L3MBTL1PAMTSHR
SCHEMBL6625857 0.83 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1PAMTSHR
SCHEMBL6666046 0.82 TSHR (0.51) ALDH1A1MAPK1L3MBTL1PAMTSHR
SCHEMBL29019624 0.81 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1PAMTSHR
SCHEMBL11445319 0.81 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1PAMTSHR

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-3189083-A1 POLYCYCLIC PHOTOINITIATORS IGM Malta Limited (MT) 2017-07-12 EP disclosed
WO-2016034963-A1 POLYCYCLIC PHOTOINITIATORS BASF SE (DE) 2016-03-10 WO disclosed
EP-2909165-A1 HYBRID PHOTOINITIATORS BASF SE (DE) 2015-08-26 EP disclosed
WO-2014060450-A1 HYBRID PHOTOINITIATORS BASF SE (DE) 2014-04-24 WO disclosed
WO-2010108862-A1 NOVEL OLIGOFUNCTIONAL PHOTOINITIATORS BASF SE (DE) 2010-09-30 WO disclosed
WO-2010063612-A1 SILSESQUIOXANE PHOTOINITIATORS BASF SE (DE) 2010-06-10 WO disclosed