SCHEMBL5580175

SCHEMBL5580175

CCCCCNC(C(=O)O)C(CC)c1ccc(O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
PGR P06401 1/20 0.49
CHRM2 P08172 1/20 0.49
CYP3A4 P08684 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
AR P10275 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPT P10636 1/20 0.49
CHRM1 P11229 1/20 0.49
CYP2C9 P11712 1/20 0.49
ALOX15 P16050 1/20 0.49
DRD1 P21728 1/20 0.49
TBXA2R P21731 1/20 0.49
PTGS1 P23219 1/20 0.49
SLC6A2 P23975 1/20 0.49
CYP2C19 P33261 1/20 0.49
ADRA1A P35348 1/20 0.49
OPRM1 P35372 1/20 0.49

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
SCHEMBL28357251 0.78 NAAA (0.51) NAAA
SCHEMBL7754836 0.77 ESR1 (0.51) ESR1LMNACYP1A2PGRCHRM2
SCHEMBL10601518 0.76 TDP1 (0.48) LMNACYP1A2CYP3A4CYP2D6MAPT
SCHEMBL6686411 0.76 TDP1 (0.48) LMNACYP1A2CYP3A4CYP2D6MAPT
SCHEMBL10601279 0.76 TDP1 (0.48) LMNACYP1A2CYP3A4CYP2D6MAPT
SCHEMBL5363820 0.75 SMN1; SMN2 (0.55) MAPT
SCHEMBL1743691 0.74 NAAA (0.52) MAPTNAAA
SCHEMBL3927049 0.73 SLC1A2 (0.51) ESR1LMNACYP1A2PGRCHRM2
SCHEMBL10346790 0.72 NAAA (0.55) ESR1LMNACYP1A2CHRM2CYP3A4
SCHEMBL10346792 0.72 NAAA (0.55) ESR1LMNACYP1A2CHRM2CYP3A4

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