SCHEMBL5580136

SCHEMBL5580136

CCC(Cc1ccc(O)cc1)(NC(=O)c1ccc2c(c1)OCO2)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.50
NPC1 O15118 4/20 0.50
MAPT P10636 1/20 0.50
TAS1R3 Q7RTX0 4/20 0.47
TAS1R1 Q7RTX1 4/20 0.47
P2RX5 Q93086 1/20 0.47
P2RX4 Q99571 1/20 0.47
P2RX7 Q99572 1/20 0.47
P2RX2 Q9UBL9 1/20 0.47
ALDH1A1 P00352 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTT P42858 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
SCHEMBL5580138 0.82 TSHR (0.48) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL3927053 0.79 BLM (0.44) RAB9ANPC1KMT2ASMN1; SMN2
SCHEMBL3927057 0.79 BLM (0.44) RAB9ANPC1KMT2ASMN1; SMN2
SCHEMBL3927124 0.77 RAB9A (0.44) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL3927119 0.77 RAB9A (0.44) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL4068308 0.76 MAPT (0.41) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL4068307 0.76 MAPT (0.41) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL5010364 0.76 TAS1R3 (0.59) RAB9ANPC1MAPTTAS1R3TAS1R1
SCHEMBL3927852 0.74 ALDH1A1 (0.49) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL3927848 0.74 ALDH1A1 (0.49) MAPTALDH1A1MEN1KMT2ALMNA

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