SCHEMBL3936098

SCHEMBL3936098

CCC(c1ccc([N+](=O)[O-])cc1)C(NC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
TP53 P04637 1/20 0.54
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
MITF O75030 1/20 0.50
POLB P06746 1/20 0.50
ALDH1A1 P00352 5/20 0.46
MAPT P10636 3/20 0.46
GAA P10253 2/20 0.46
HTT P42858 1/20 0.46
SLC1A2 P43004 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
TAAR1 Q96RJ0 1/20 0.45
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 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
SCHEMBL3927034 0.85 SLC1A2 (0.57) RAB9ASMN1; SMN2ALDH1A1SLC1A2PPARG
SCHEMBL5580157 0.84 CCR3 (0.51) NPC1RAB9ASMN1; SMN2TP53KMT2A
SCHEMBL3927049 0.83 SLC1A2 (0.51) RAB9ASMN1; SMN2ALDH1A1MAPTSLC1A2
SCHEMBL3935805 0.82 SLC1A2 (0.54) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL25447128 0.80 PPARG (0.53) NPC1RAB9ASMN1; SMN2POLBALDH1A1
SCHEMBL3935723 0.80 PPARG (0.53) NPC1RAB9ASMN1; SMN2POLBALDH1A1
SCHEMBL3938128 0.80 ALDH1A1 (0.54) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL3927115 0.79 RAB9A (0.57) RAB9ASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL30530201 0.77 NPC1 (0.59) NPC1RAB9ASMN1; SMN2TP53KMT2A
SCHEMBL3932028 0.76 SLC1A2 (0.47) RAB9ASMN1; SMN2ALDH1A1SLC1A2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6420424-B1 ADMINISTERING PHENYLALANINE AMIDE DERIVATIVES (SUCH AS S-ETHYL-2-AMINO-3-(4-CHLOROPHENYL)PROPIONATE HYDROCHLORIDE) TO TREAT ALLERGIC DISORDERS, INCLUDING ASTHMA, RHINITIS, DERMATITUS, AND PRURITIS SMITHKLINE BEECHAM CORPORATION 2002-07-16 US claimed
EP-1691199-B1 METHOD OF PREDICTING SPOT FORMATION ON THE SKIN WITH THE USE OF SPOT SITE-ACCELERATING GENES AS INDICATION AND METHOD OF SCREENING INHIBITOR FOR SPOT FORMATION ON THE SKIN SHISEIDO CO LTD (JP) 2009-04-01 EP disclosed
US-20070249915-A1 Inhibitors SHISEIDO COMPANY, LTD. (JP) 2007-10-25 US disclosed
EP-1691199-A1 METHOD OF PREDICTING SPOT FORMATION ON THE SKIN WITH THE USE OF SPOT SITE-ACCELERATING GENES AS INDICATION AND METHOD OF SCREENING INHIBITOR FOR SPOT FORMATION ON THE SKIN SHISEIDO COMPANY LIMITED (JP) 2006-08-16 EP disclosed
US-6420424-B1 ADMINISTERING PHENYLALANINE AMIDE DERIVATIVES (SUCH AS S-ETHYL-2-AMINO-3-(4-CHLOROPHENYL)PROPIONATE HYDROCHLORIDE) TO TREAT ALLERGIC DISORDERS, INCLUDING ASTHMA, RHINITIS, DERMATITUS, AND PRURITIS SMITHKLINE BEECHAM CORPORATION 2002-07-16 US disclosed