SCHEMBL5580189

SCHEMBL5580189

CC[C@@](Cc1ccc(O)cc1)(NCc1ccccn1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.44
POLB P06746 3/20 0.43
NPC1 O15118 4/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 2/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
HPGD P15428 2/20 0.42
TSHR P16473 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL5580187 0.79 MAPT (0.44) RAB9ANPC1KMT2ALMNASMN1; SMN2
SCHEMBL23646500 0.72 BLM (0.54) POLBKMT2ALMNAMEN1SMN1; SMN2
SCHEMBL3927057 0.72 BLM (0.44) RAB9APOLBNPC1KMT2ASMN1; SMN2
SCHEMBL3927053 0.72 BLM (0.44) RAB9APOLBNPC1KMT2ASMN1; SMN2
SCHEMBL5580178 0.72 BLM (0.44) LMNAALDH1A1KDM4E
SCHEMBL5580181 0.72 BLM (0.44) LMNAALDH1A1KDM4E
SCHEMBL5580107 0.71 HDAC3 (0.46) POLBKMT2AMEN1SMN1; SMN2TSHR
SCHEMBL5580106 0.71 HDAC3 (0.46) POLBKMT2AMEN1SMN1; SMN2TSHR
SCHEMBL5580168 0.71 FNTA (0.47) KMT2AMEN1SMN1; SMN2HPGDALDH1A1
SCHEMBL5580167 0.71 FNTA (0.47) KMT2AMEN1SMN1; SMN2HPGDALDH1A1

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