SCHEMBL8862011

SCHEMBL8862011

Nc1cc(O)cc(CC(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.48
CAMK2A Q9UQM7 1/20 0.48
GAA P10253 4/20 0.44
TSHR P16473 3/20 0.44
POLB P06746 2/20 0.44
NFKB1 P19838 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
RGS12 O14924 1/20 0.44
APEX1 P27695 1/20 0.44
THPO P40225 1/20 0.44
BLM P54132 1/20 0.44
GNAI1 P63096 1/20 0.44
PMP22 Q01453 1/20 0.44
HIF1A Q16665 1/20 0.44
GABRP O00591 2/20 0.43

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
SCHEMBL5193481 0.87 GABRP (0.48) CA2CAMK2AGAATSHRPOLB
SCHEMBL1000178 0.87 GABRP (0.48) CA2CAMK2AGAATSHRPOLB
SCHEMBL477986 0.84 CA2 (0.58) CA2CAMK2AGAATSHRPOLB
SCHEMBL9336785 0.81 HPGD (0.40) CA2TSHRHPGDHSD17B10HSP90AB1
SCHEMBL10605792 0.78 LMNA (0.42) CA2CAMK2AGAATSHRPOLB
SCHEMBL17161269 0.78 GABRA1 (0.42) CA2CAMK2AGAATSHRPOLB
SCHEMBL3904523 0.75 HCAR1 (0.50) CA2CAMK2AGAATSHRPOLB
SCHEMBL585787 0.75 CA2 (0.48) CA2CAMK2AGAATSHRPOLB
SCHEMBL334919 0.75 HCAR1 (0.50) CA2CAMK2AGAATSHRPOLB
SCHEMBL585478 0.75 HCAR1 (0.50) CA2CAMK2AGAATSHRPOLB

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5656636-A TREATING PSORIASIS SMITHKLINE BEECHAM CORPORATION (US) 1997-08-12 US disclosed
US-5633258-A Pyridine compounds for treating leukotriene-related diseases SMITHKLINE BEECHAM CORPORATION (US) 1997-05-27 US disclosed
US-5631262-A Pyridine compounds for treating leukotriene-related diseases SMITHKLINE BEECHAM CORPORATION (US) 1997-05-20 US disclosed
CN-1092409-A The compound that is used for the treatment of leukotriene-related disease SMITHKLINE BEECHAM CORP (US) 1994-09-21 CN disclosed
EP-0604529-A1 PYRIDINE COMPOUNDS FOR TREATING LEUKOTRIENE-RELATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1994-07-06 EP disclosed
EP-0593464-A1 BENZOIC ACID DERIVATIVES and their use as LTB4 inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1994-04-27 EP disclosed
CN-1073431-A The compound that is used for the treatment of leukotriene-related disease SMITHRLINE BEECHAM CORP (US) 1993-06-23 CN disclosed
WO-1993006085-A1 PYRIDINE COMPOUNDS FOR TREATING LEUKOTRIENE-RELATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1993-04-01 WO disclosed
EP-0593464-A4 BENZOIC ACID DERIVATIVES. SMITHKLINE BEECHAM CORP (US) 1993-02-12 EP disclosed
CN-1058015-A Benzoic acid derivative SMITHKLINE BEECHAM CORP (US) 1992-01-22 CN disclosed
WO-1991018601-A1 BENZOIC ACID DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 1991-12-12 WO disclosed