SCHEMBL5810482

SCHEMBL5810482

COc1ccc(N(CC(=O)O)Cc2ccc(C(=O)c3ccccc3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.64
CNR2 P34972 4/20 0.54
BCHE P06276 3/20 0.51
NR3C1 P04150 1/20 0.49
TAS2R14 Q9NYV8 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
PTGES O14684 1/20 0.47
TAS2R8 Q9NYW2 1/20 0.47
CXCR3 P49682 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
CNR1 P21554 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL5191196 0.89 ACHE (0.54) ACHECNR2NR3C1TAS2R14KDM4E
SCHEMBL6560868 0.89 NR3C1 (0.56) ACHECNR2NR3C1RAB9ANPC1
SCHEMBL5811431 0.89 ACHE (0.53) ACHECNR2BCHENR3C1PTGES
SCHEMBL5814042 0.86 PTPN1 (0.47) ACHEBCHENR3C1HPGDMEN1
SCHEMBL5815695 0.85 SRD5A2 (0.53) ACHENR3C1TAS2R14HPGDPTGES
SCHEMBL10906279 0.85 NR3C1 (0.49) ACHECNR2BCHENR3C1HPGD
SCHEMBL5811429 0.84 RAB9A (0.50) ACHENR3C1TAS2R14KDM4EHPGD
SCHEMBL16494668 0.80 RNF4 (0.53) ACHECNR2NR3C1MEN1KMT2A
SCHEMBL340292 0.79 KEAP1 (0.59) KDM4ERAB9ANPC1MAPT
SCHEMBL28700635 0.79 PTPN1 (0.54) ACHECNR2NR3C1MEN1KMT2A

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
WO-2006108204-A1 PHOTOPOLYMERISABLE MIXTURES COMPRISING PHOTOINITIATORS BASED ON BENZOPHENONE AND PHENYLGLYCINE TECHNISCHE UNIVERSITÄT WIEN (AT) 2006-10-19 WO disclosed