SCHEMBL6170212

SCHEMBL6170212

COc1ccc(C(=O)Cc2ccc(SC)cc2)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.49
NPC1 O15118 3/20 0.49
HTT P42858 2/20 0.49
PDE4D Q08499 1/20 0.48
KDM4E B2RXH2 3/20 0.44
MAPT P10636 3/20 0.44
ALDH1A1 P00352 3/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
TAS1R3 Q7RTX0 3/20 0.43
TAS1R1 Q7RTX1 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 2/20 0.43
PKM P14618 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
STAT3 P40763 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
SCHEMBL6167104 0.84 HTT (0.52) LMNANPC1HTTKDM4EMAPT
SCHEMBL7220907 0.83 MAPT (0.55) LMNANPC1HTTPDE4DMAPT
SCHEMBL6169425 0.82 KDM4E (0.49) LMNANPC1HTTKDM4EMAPT
SCHEMBL6169428 0.82 KDM4E (0.49) LMNANPC1HTTKDM4EMAPT
SCHEMBL7810424 0.82 CYP1A2 (0.53) LMNANPC1HTTMAPTALDH1A1
SCHEMBL28774662 0.80 ALDH1A1 (0.50) LMNANPC1HTTKDM4EMAPT
SCHEMBL7217060 0.80 PTGS1 (0.52) LMNANPC1HTTPDE4DALDH1A1
SCHEMBL7839551 0.77 HTT (0.60) LMNANPC1HTTMAPTRAB9A
SCHEMBL7850760 0.77 RAB9A (0.68) LMNANPC1MAPTALDH1A1RAB9A
SCHEMBL3940582 0.77 RAB9A (0.68) LMNANPC1MAPTALDH1A1RAB9A

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
EP-1528059-A2 Substituted isoxazoles for the treatment of inflammation G.D. Searle LLC (US) 2005-05-04 EP disclosed
EP-0809636-B1 SUBSTITUTED ISOXAZOLES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2002-09-04 EP disclosed
EP-1223167-A2 Substituted isoxazoles for the treatment of inflammation G.D. Searle & Co. (US) 2002-07-17 EP disclosed
US-5985902-A TREATING INFLAMMATION AND INFLAMMATION-ASSOCIATED DISORDERS, SUCH AS ARTHRITIS G.D. SEARLE & CO. (US) 1999-11-16 US disclosed
US-5859257-A ANTIINFLAMMATORY, ANTIARTHRITIC AGENTS G. D. SEARLE & CO. (US) 1999-01-12 US disclosed
EP-0809636-A1 SUBSTITUTED ISOXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-12-03 EP disclosed
US-5633272-A Substituted isoxazoles for the treatment of inflammation PHARMACIA & UPJOHN COMPANY LLC 1997-05-27 US disclosed
WO-1996025405-A1 SUBSTITUTED ISOXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-22 WO disclosed