SCHEMBL8862086

SCHEMBL8862086

CC(C)(C)[Si](O)(c1ccccc1)c1ccccc1.CCCCCCCCc1ccc(OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
CALM1 P0DP23 1/20 0.43
PTGS2 P35354 2/20 0.43
IGF1R P08069 1/20 0.43
ALOX15 P16050 1/20 0.43
PLK1 P53350 1/20 0.42
PLK3 Q9H4B4 1/20 0.42
ALDH1A1 P00352 3/20 0.42
ESR1 P03372 2/20 0.42
ADRA2A P08913 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
TACR2 P21452 2/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 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
SCHEMBL8862041 1.00 L3MBTL1 (0.48) L3MBTL1TDP1CASP3SENP8SENP7
SCHEMBL9429436 0.88 FFAR1 (0.49) L3MBTL1TDP1CASP3SENP8SENP7
SCHEMBL9369317 0.83 TDP1 (0.49) L3MBTL1TDP1CASP3SENP8SENP7
Octane SCHEMBL9495450 0.82 CES2 (0.40) TDP1ALDH1A1
SCHEMBL8862120 0.80 MAPT (0.47) ALDH1A1CYP3A4MAPTMAPK1
SCHEMBL10533113 0.78 CASP3 (0.61) L3MBTL1TDP1CASP3SENP8SENP7
SCHEMBL10534584 0.78 CASP3 (0.61) L3MBTL1TDP1CASP3SENP8SENP7
SCHEMBL10571533 0.78 CASP3 (0.61) L3MBTL1TDP1CASP3SENP8SENP7
SCHEMBL3220040 0.78 CASP3 (0.61) L3MBTL1TDP1CASP3SENP8SENP7
SCHEMBL2615719 0.78 CASP3 (0.61) L3MBTL1TDP1CASP3SENP8SENP7

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 14 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
WO-1994014797-A1 QUINOLINE COMPOUNDS AND THE TREATMENT OF LEUCOTRIENE RELATED DISEASES THEREWITH SMITHKLINE BEECHAM CORPORATION (US) 1994-07-07 WO 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
WO-1993011768-A1 PYRIDYL COMPOUNDS FOR PSORIASIS TREATMENT SMITHKLINE BEECHAM CORPORATION (US) 1993-06-24 WO disclosed
WO-1993006085-A1 PYRIDINE COMPOUNDS FOR TREATING LEUKOTRIENE-RELATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1993-04-01 WO disclosed
EP-0532550-A1 BENZOIC ACID DERIVATIVES FOR TREATING LEUKOTRIENE-RELATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1993-03-24 EP disclosed
EP-0532621-A1 AMIDE LINKED PYRIDYLE-BENZOIC ACID DERIVATIVES FOR TREATING LEUKOTRIENE-RELATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1993-03-24 EP disclosed
WO-1991018883-A1 AMIDE LINKED PYRIDYLE-BENZOIC ACID DERIVATIVES FOR TREATING LEUKOTRIENE-RELATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1991-12-12 WO disclosed
WO-1991018880-A1 BENZOIC ACID DERIVATIVES FOR TREATING LEUKOTRIENE-RELATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1991-12-12 WO disclosed