SCHEMBL5580106

SCHEMBL5580106

CCC(Cc1ccc(O)cc1)(Nc1cccc2cccnc12)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.46
HDAC1 Q13547 4/20 0.46
HDAC2 Q92769 4/20 0.46
HDAC6 Q9UBN7 4/20 0.46
POLB P06746 3/20 0.44
TDP1 Q9NUW8 2/20 0.43
KDR P35968 2/20 0.43
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL5580107 1.00 HDAC3 (0.46) HDAC3HDAC1HDAC2HDAC6POLB
SCHEMBL3927044 0.81 GAA (0.53) POLBTDP1HTTKMT2AMAPT
SCHEMBL3927046 0.81 GAA (0.53) POLBTDP1HTTKMT2AMAPT
SCHEMBL5580187 0.71 MAPT (0.44) TDP1HTTKMT2AMAPTSMN1; SMN2
SCHEMBL5580189 0.71 RAB9A (0.44) POLBTDP1KMT2AMAPTMEN1
SCHEMBL23646500 0.70 BLM (0.54) POLBTDP1KMT2AMAPTMEN1
SCHEMBL5581224 0.69 BLM (0.41) HDAC3KMT2AMEN1SMN1; SMN2TSHR
SCHEMBL5581221 0.69 BLM (0.41) HDAC3KMT2AMEN1SMN1; SMN2TSHR
SCHEMBL5580104 0.69 MAPT (0.48) HDAC3HDAC1HDAC2HDAC6POLB
SCHEMBL2622219 0.69 HTT (0.56) POLBTDP1KDRHTTKMT2A

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