SCHEMBL7503952

SCHEMBL7503952

COc1cc(Cl)ccc1-c1oc(Cc2ccccc2)nc1-c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 4/20 0.44
▸ MAPT P10636 2/20 0.43
▸ PTGS2 P35354 11/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ RXRB P28702 3/20 0.41
▸ FAAH O00519 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ PTGS1 P23219 2/20 0.39
▸ RXRG P48443 2/20 0.38

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
SCHEMBL7508070 0.93 PTGS2 (0.43) RXRAMAPTPTGS2ALDH1A1LMNA
SCHEMBL7499023 0.92 CA2 (0.43) RXRAMAPTPTGS2ALDH1A1LMNA
SCHEMBL7505768 0.90 PTGS2 (0.46) RXRAMAPTPTGS2ALDH1A1RXRB
SCHEMBL7506339 0.89 PTGS2 (0.49) RXRAPTGS2PTGS1
SCHEMBL7506181 0.88 RXRA (0.46) RXRAMAPTPTGS2ALDH1A1LMNA
SCHEMBL7505563 0.88 RXRA (0.56) RXRAPTGS2PTGS1
SCHEMBL7503849 0.87 PTGS2 (0.47) RXRAMAPTPTGS2ALDH1A1LMNA
SCHEMBL7497030 0.86 RXRA (0.56) RXRAMAPTPTGS2ALDH1A1LMNA
SCHEMBL7508671 0.85 PTGS2 (0.45) RXRAPTGS2RXRBPTGS1
SCHEMBL7510451 0.85 PTGS2 (0.47) RXRAMAPTPTGS2ALDH1A1RXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0699192-B1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2002-07-24 — — EP disclosed
US-6090834-A ANALGESICS; RHEUMATIC DISORDERS; SKIN DISORDERS; GASTROINTESTINAL DISORDERS G.D. SEARLE & CO. (US) 2000-07-18 — — US disclosed
EP-0825989-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-03-04 — — EP disclosed
US-5719163-A ARTHRITIS G.D. SEARLE & CO. (US) 1998-02-17 — — US disclosed
WO-1996036617-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-11-21 — — WO disclosed
EP-0699192-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-03-06 — — EP disclosed
WO-1994027980-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1994-12-08 — — WO disclosed
Send feedback