SCHEMBL5580140

SCHEMBL5580140

O=C(NC(Cc1ccccc1)(Cc1ccc(O)cc1)C(=O)O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
BLM P54132 1/20 0.44
ADRB2 P07550 1/20 0.44
POLB P06746 2/20 0.43
HDAC1 Q13547 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PTPN1 P18031 1/20 0.41
LMNA P02545 2/20 0.41
CES2 O00748 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL5580141 1.00 FNTA (0.45) FNTAFNTBNPC1RAB9ABLM
SCHEMBL3927057 0.90 BLM (0.44) NPC1RAB9ABLMADRB2POLB
SCHEMBL3927053 0.90 BLM (0.44) NPC1RAB9ABLMADRB2POLB
SCHEMBL3927124 0.85 RAB9A (0.44) NPC1RAB9ABLMPOLBHDAC1
SCHEMBL3927119 0.85 RAB9A (0.44) NPC1RAB9ABLMPOLBHDAC1
SCHEMBL3927037 0.83 POLB (0.47) NPC1RAB9APOLBSMN1; SMN2HIF1A
SCHEMBL3927036 0.83 POLB (0.47) NPC1RAB9APOLBSMN1; SMN2HIF1A
SCHEMBL5580942 0.81 BLM (0.50) NPC1RAB9ABLMADRB2POLB
SCHEMBL5580940 0.81 BLM (0.50) NPC1RAB9ABLMADRB2POLB
SCHEMBL3935814 0.78 MEN1 (0.44) NPC1RAB9APOLBHDAC1SMN1; 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 8 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
JP-2002512960-A 2002-05-08 JP claimed
EP-1073434-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-02-07 EP claimed
WO-1999055330-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-04 WO claimed
US-20070249915-A1 Inhibitors SHISEIDO COMPANY, LTD. (JP) 2007-10-25 US 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
EP-1073434-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-02-07 EP disclosed
WO-1999055330-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-04 WO disclosed