SCHEMBL860742

SCHEMBL860742

O=C(C(CC1CCCC1)=NO)c1ccc(Sc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.42
ALDH1A1 P00352 1/20 0.42
EPHX2 P34913 2/20 0.40
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
CHRNA7 P36544 1/20 0.38
MGLL Q99685 1/20 0.37
CHEK2 O96017 1/20 0.36
EZH2 Q15910 1/20 0.36
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 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
SCHEMBL24634212 0.99 EPHX2 (0.42) HPGDALDH1A1EPHX2NPC1RAB9A
SCHEMBL29503070 0.99 EPHX2 (0.42) HPGDALDH1A1EPHX2NPC1RAB9A
Benzoic Acid SCHEMBL29503073 0.95 CES2 (0.40) HPGDALDH1A1EPHX2NPC1RAB9A
Acetic Acid SCHEMBL22497420 0.95 HPGD (0.44) HPGDALDH1A1EPHX2NPC1RAB9A
SCHEMBL18799991 0.95 HTT (0.39) HPGDALDH1A1EPHX2NPC1RAB9A
SCHEMBL18351278 0.95 HTT (0.39) HPGDALDH1A1EPHX2NPC1RAB9A
SCHEMBL19919516 0.85 ALDH1A1 (0.41) HPGDALDH1A1EPHX2NPC1RAB9A
SCHEMBL29413079 0.83 HPGD (0.46) HPGDALDH1A1EPHX2NPC1RAB9A
SCHEMBL31456130 0.83 KMT2A (0.52) ALDH1A1L3MBTL1KMT2A
SCHEMBL15960798 0.83 POLB (0.37) HPGDALDH1A1EPHX2NPC1RAB9A

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
EP-2433927-B1 KETOXIME ESTER PHOTOINITIATOR CHANGZHOU TRONLY NEW ELECTRONIC MATERIALS CO LTD (CN) 2013-11-20 EP disclosed
EP-2433927-A1 KETOXIME ESTER PHOTOINITIATOR Changzhou Tronly New Electronic Materials Co., Ltd (CN) 2012-03-28 EP disclosed