SCHEMBL5580180

SCHEMBL5580180

CCC(Cc1ccc(O)cc1)(NC(=O)c1cccc2ccccc12)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 1/20 0.49
PLK1 P53350 1/20 0.45
NR1H4 Q96RI1 1/20 0.44
GFER P55789 1/20 0.44
KMT2A Q03164 3/20 0.43
HDAC8 Q9BY41 2/20 0.43
MEN1 O00255 2/20 0.43
MMP3 P08254 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL5580183 1.00 DEGS1 (0.49) DEGS1PLK1NR1H4GFERKMT2A
SCHEMBL5580154 0.90 DRD4 (0.49) PLK1NR1H4KMT2AHDAC8MEN1
SCHEMBL5580152 0.90 DRD4 (0.49) PLK1NR1H4KMT2AHDAC8MEN1
SCHEMBL5580159 0.86 CCR3 (0.49) KMT2AMEN1
SCHEMBL5580161 0.86 CCR3 (0.49) KMT2AMEN1
SCHEMBL5580405 0.85 APEX1 (0.44) KMT2AALDH1A1
SCHEMBL5580402 0.85 APEX1 (0.44) KMT2AALDH1A1
SCHEMBL3927057 0.81 BLM (0.44) KMT2AHDAC3HDAC1HDAC2HDAC6
SCHEMBL3927053 0.81 BLM (0.44) KMT2AHDAC3HDAC1HDAC2HDAC6
SCHEMBL5580149 0.77 CCR3 (0.49) NR1H4KMT2AMEN1ALDH1A1SMN1; SMN2

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 5 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
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