SCHEMBL5580134

SCHEMBL5580134

CCC(c1ccc(O)cc1)C(NCc1ccc2c(c1)OCO2)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
HPGD P15428 3/20 0.47
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 2/20 0.45
LMNA P02545 2/20 0.45
MAPK1 P28482 1/20 0.45
MMP13 P45452 1/20 0.45
USP2 O75604 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
NPC1 O15118 2/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
MME P08473 1/20 0.44
RAB9A P51151 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
SCHEMBL1968304 0.76 SMN1; SMN2 (0.55) MEN1KMT2ASMN1; SMN2HPGDALDH1A1
SCHEMBL19326702 0.75 MEN1 (0.61) MEN1KMT2ASMN1; SMN2HPGDTDP1
SCHEMBL19326700 0.75 MEN1 (0.61) MEN1KMT2ASMN1; SMN2HPGDTDP1
SCHEMBL5580133 0.73 HSD17B10 (0.54) MEN1KMT2ASMN1; SMN2HPGDTDP1
Propionic Acid SCHEMBL11143650 0.73 MEN1 (0.59) MEN1KMT2ASMN1; SMN2HPGDTDP1
SCHEMBL19326699 0.71 ALDH1A1 (0.62) MEN1KMT2ASMN1; SMN2HPGDALDH1A1
SCHEMBL5580138 0.71 TSHR (0.48) MEN1KMT2ASMN1; SMN2HPGDTDP1
SCHEMBL6395296 0.70 MEN1 (0.56) MEN1KMT2ASMN1; SMN2HPGDALDH1A1
SCHEMBL6395293 0.70 MEN1 (0.56) MEN1KMT2ASMN1; SMN2HPGDALDH1A1
SCHEMBL8804044 0.69 ALDH1A1 (0.59) MEN1KMT2ASMN1; SMN2HPGDTDP1

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