SCHEMBL8862060

SCHEMBL8862060

COc1ccc(CCCCCCCCI)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.58
IGF1R P08069 1/20 0.56
ALOX15 P16050 1/20 0.56
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
TAAR1 Q96RJ0 1/20 0.53
ALOX5 P09917 1/20 0.49
MAOB P27338 2/20 0.48
SIGMAR1 Q99720 1/20 0.47
AOC3 Q16853 1/20 0.47
IDO1 P14902 1/20 0.47
F2RL1 P55085 1/20 0.46

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
SCHEMBL11552206 1.00 CALM1 (0.58) CALM1IGF1RALOX15TDP1L3MBTL1
SCHEMBL11401615 1.00 CALM1 (0.58) CALM1IGF1RALOX15TDP1L3MBTL1
SCHEMBL5045835 0.98 CALM1 (0.60) CALM1IGF1RALOX15TDP1L3MBTL1
SCHEMBL5168832 0.92 CALM1 (0.62) CALM1IGF1RALOX15TDP1L3MBTL1
SCHEMBL7549717 0.90 CALM1 (0.60) CALM1IGF1RALOX15TDP1L3MBTL1
SCHEMBL17400406 0.89 CALM1 (0.69) CALM1IGF1RALOX15TDP1L3MBTL1
SCHEMBL11007798 0.89 CALM1 (0.69) CALM1IGF1RALOX15TDP1L3MBTL1
SCHEMBL9509173 0.89 CALM1 (0.69) CALM1IGF1RALOX15TDP1L3MBTL1
SCHEMBL10571532 0.89 CALM1 (0.69) CALM1IGF1RALOX15TDP1L3MBTL1
SCHEMBL4254058 0.87 CALM1 (0.72) CALM1IGF1RALOX15TDP1L3MBTL1

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 18 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
EP-0675718-A1 SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-10-11 EP disclosed
EP-0675718-A4 SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS LEUKOTRIENE ANTAGONISTS. SMITHKLINE BEECHAM CORP (US) 1995-08-22 EP disclosed
EP-0639975-A1 HETEROCYCLIC-SUBSTITUTED PYRIDINE COMPOUNDS AND USES SMITHKLINE BEECHAM CORPORATION (US) 1995-03-01 EP disclosed
EP-0639975-A4 HETEROCYCLIC-SUBSTITUTED PYRIDINE COMPOUNDS AND USES. SMITHKLINE BEECHAM CORP (US) 1994-10-24 EP 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
WO-1994014442-A1 SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-07-07 WO 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
WO-1993022285-A1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-11-11 WO disclosed
WO-1993011768-A1 PYRIDYL COMPOUNDS FOR PSORIASIS TREATMENT SMITHKLINE BEECHAM CORPORATION (US) 1993-06-24 WO 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-1993010780-A1 HETEROCYCLIC-SUBSTITUTED PYRIDINE COMPOUNDS AND USES SMITHKLINE BEECHAM CORPORATION (US) 1993-06-10 WO 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
WO-1991018601-A1 BENZOIC ACID DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 1991-12-12 WO disclosed