SCHEMBL5580133

SCHEMBL5580133

CCOC(=O)[C@H](Cc1ccc(O)cc1)NCc1ccc2c(c1)OCO2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.54
MAPT P10636 3/20 0.54
ALDH1A1 P00352 3/20 0.54
LMNA P02545 2/20 0.54
MEN1 O00255 1/20 0.54
USP2 O75604 1/20 0.54
ALOX15 P16050 1/20 0.54
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
HPGD P15428 4/20 0.52
CYP3A4 P08684 2/20 0.51
TDP1 Q9NUW8 1/20 0.47
TSHR P16473 2/20 0.47
NPC1 O15118 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL16798976 0.82 HSD17B10 (0.59) HSD17B10MAPTALDH1A1LMNAMEN1
SCHEMBL16798977 0.82 HSD17B10 (0.59) HSD17B10MAPTALDH1A1LMNAMEN1
SCHEMBL1968304 0.78 SMN1; SMN2 (0.55) HSD17B10MAPTALDH1A1LMNAMEN1
SCHEMBL28699378 0.78 BACE1 (0.54) SMN1; SMN2TSHR
SCHEMBL11343509 0.77 HPGD (0.60) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL6277159 0.77 EPHX2 (0.53) MAPTALDH1A1HPGDTDP1TSHR
SCHEMBL6157430 0.76 CYP3A4 (0.58) HSD17B10MAPTALDH1A1LMNAMEN1
SCHEMBL1271157 0.76 BACE1 (0.53) KMT2ATSHR
SCHEMBL6714925 0.76 BACE1 (0.53) KMT2ATSHR
SCHEMBL8248143 0.76 CYP3A4 (0.48) HSD17B10MAPTALDH1A1LMNAMEN1

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