SCHEMBL5580187

SCHEMBL5580187

CCC(Cc1ccc(O)cc1)(NC(=O)c1ccccn1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
GAA P10253 3/20 0.44
KDM4E B2RXH2 5/20 0.43
HTT P42858 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TLR7 Q9NYK1 2/20 0.43
PKM P14618 2/20 0.42
MAPK1 P28482 1/20 0.42
PTGS2 P35354 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
MITF O75030 1/20 0.41
OPRK1 P41145 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL3927053 0.82 BLM (0.44) NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL3927057 0.82 BLM (0.44) NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL5580402 0.79 APEX1 (0.44) MAPTGAAHTTLMNAALDH1A1
SCHEMBL5580405 0.79 APEX1 (0.44) MAPTGAAHTTLMNAALDH1A1
SCHEMBL5580189 0.79 RAB9A (0.44) MAPTNPC1RAB9AGAAKDM4E
SCHEMBL3927119 0.78 RAB9A (0.44) MAPTNPC1RAB9AGAAKDM4E
SCHEMBL3927124 0.78 RAB9A (0.44) MAPTNPC1RAB9AGAAKDM4E
SCHEMBL5580168 0.76 FNTA (0.47) GAAKDM4EHTTSMN1; SMN2L3MBTL1
SCHEMBL5580167 0.76 FNTA (0.47) GAAKDM4EHTTSMN1; SMN2L3MBTL1
SCHEMBL5580183 0.75 DEGS1 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A

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