SCHEMBL28134458

SCHEMBL28134458

COC(=O)c1cc(OCc2ccccc2)ccc1NS(=O)(=O)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.46
MCL1 Q07820 1/20 0.46
BCL2A1 Q16548 1/20 0.46
HPGD P15428 3/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
AR P10275 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LNPEP Q9UIQ6 1/20 0.44
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44
LMNA P02545 1/20 0.43
LTA4H P09960 1/20 0.43
MAOA P21397 1/20 0.43
ADAMTS4 O75173 1/20 0.43
MMP13 P45452 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.42

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
SCHEMBL28134461 0.91 MCL1 (0.56) MAOBMCL1BCL2A1HPGDALDH1A1
SCHEMBL28134456 0.90 KMT2A (0.53) MAOBHPGDALDH1A1KDM4EMAPT
SCHEMBL2609089 0.83 MAOB (0.50) MAOBHPGDALDH1A1KDM4EMAPT
SCHEMBL4895612 0.81 BRD4 (0.57) MAOBHPGDALDH1A1KDM4EMAPT
SCHEMBL22762345 0.81 MCL1 (0.53) MCL1BCL2A1ALDH1A1MAPTAR
SCHEMBL713051 0.80 ALDH1A1 (0.54) MCL1BCL2A1ALDH1A1KDM4EMAPT
SCHEMBL2609158 0.79 MAOB (0.48) MAOBHPGDALDH1A1KDM4EMAPT
SCHEMBL2609157 0.78 NPC1 (0.47) MAOBHPGDALDH1A1KDM4EMAPT
SCHEMBL12763820 0.77 MAOB (0.48) MAOBHPGDALDH1A1KDM4EMAPT
SCHEMBL22873361 0.76 MAOB (0.59) MAOBMCL1HPGDALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106478548-A A kind of preparation technology of 6 hydroxyl bentazone 贵州大学 2017-03-08 CN disclosed