SCHEMBL8204835

SCHEMBL8204835

CC(C)CC(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.54
ALDH1A1 P00352 2/20 0.53
CYP2C19 P33261 3/20 0.50
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47
NFKB1 P19838 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 2/20 0.46
POLB P06746 1/20 0.46
CYP1A2 P05177 2/20 0.45
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CA12 O43570 1/20 0.45
GLA P06280 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL10989602 0.89 CTSD (0.53) CTSDALDH1A1CYP2C19NPC1GAA
SCHEMBL28037644 0.81 CTSD (0.49) CTSDALDH1A1GAAKDM4EMAPT
SCHEMBL12237068 0.81 CTSD (0.46) CTSDALDH1A1CYP2C19NPC1GAA
SCHEMBL3167978 0.81 CTSD (0.59) CTSDALDH1A1CYP2C19GAARAB9A
SCHEMBL11150440 0.81 CTSD (0.51) CTSDALDH1A1CYP2C19KDM4EMAPT
SCHEMBL11459770 0.80 CTSD (0.68) CTSDALDH1A1CYP2C19GAASMN1; SMN2
(Ortho-Nitrobenzoyl)Alanine SCHEMBL9064990 0.80 KMO (0.55) CTSDALDH1A1KDM4EMAPTTSHR
(Ortho-Nitrobenzoyl)Alanine SCHEMBL5291442 0.80 KMO (0.55) CTSDALDH1A1KDM4EMAPTTSHR
SCHEMBL1208294 0.79 ALDH1A1 (0.69) CTSDALDH1A1CYP2C19GAASMN1; SMN2
SCHEMBL10353220 0.79 CTSD (0.61) CTSDALDH1A1CYP2C19GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6093851-A N-(α-alkylbenzylidene)-α-phenylalkylamine, its use and process for producing the same and process for producing intermediate therefor SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2000-07-25 US disclosed
EP-0735018-B1 N-(alpha-alkylbenzylidene)-alpha-phenylalkylamine, its use and process for producing the same and process for producing intermediate therefor SUMITOMO CHEMICAL CO (JP) 1999-07-21 EP disclosed
US-5739401-A N-(α-alkylbenzylidene)-α-phenylalkylamine, its use and process for producing the same and process for producing intermediate therefor SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-04-14 US disclosed
EP-0735018-A1 N-(alpha-alkylbenzylidene)-alpha-phenylalkylamine, its use and process for producing the same and process for producing intermediate therefor SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP disclosed