SCHEMBL8043232

SCHEMBL8043232

CC(=O)N(C)Cc1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
POLB P06746 1/20 0.61
MAPT P10636 1/20 0.61
ACHE P22303 4/20 0.55
HDAC1 Q13547 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
HPGD P15428 2/20 0.53
CA12 O43570 1/20 0.51
CA9 Q16790 1/20 0.51
BCHE P06276 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49

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
SCHEMBL425164 0.85 NPC1 (0.68) ALDH1A1SMN1; SMN2POLBMAPTMEN1
SCHEMBL2919154 0.84 ACHE (0.59) ALDH1A1SMN1; SMN2ACHEHDAC1HDAC6
Hydrochloric Acid SCHEMBL27606790 0.82 ACHE (0.58) ALDH1A1SMN1; SMN2ACHEHDAC1HDAC6
Bromide SCHEMBL3798742 0.82 ACHE (0.58) ALDH1A1SMN1; SMN2ACHEHDAC1HDAC6
Bromide SCHEMBL3799850 0.82 ACHE (0.58) ALDH1A1SMN1; SMN2ACHEHDAC1HDAC6
Bromide SCHEMBL4109635 0.82 ACHE (0.58) ALDH1A1SMN1; SMN2ACHEHDAC1HDAC6
SCHEMBL2238302 0.82 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2POLBMAPTHDAC1
SCHEMBL28884635 0.81 ACHE (0.56) ALDH1A1SMN1; SMN2ACHEHDAC1HDAC6
Cyclohexane SCHEMBL28149317 0.79 ACHE (0.55) ALDH1A1ACHEHDAC1HDAC6NPC1
SCHEMBL24217539 0.78 MEN1 (0.59) ALDH1A1SMN1; SMN2POLBMAPTMEN1

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
EP-0755949-B1 Radiation curable masses containing covalently bonded photoinitiators BASF AG (DE) 2000-04-12 EP disclosed
US-5859084-A Radiation-curable compositions containing photoinitiators linked by a covalent bond BASF AKTIENGESELLSCHAFT (DE) 1999-01-12 US disclosed
EP-0755949-A1 Radiation curable masses containing covalently bonded photoinitiators BASF AKTIENGESELLSCHAFT (DE) 1997-01-29 EP disclosed