SCHEMBL7548877

SCHEMBL7548877

CCCC(C)Nc1ncco1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.40
ELANE P08246 1/20 0.39
HCAR3 P49019 1/20 0.38
TLR8 Q9NR97 2/20 0.38
TLR7 Q9NYK1 1/20 0.38
CYP2D6 P10635 1/20 0.37
FFAR2 O15552 1/20 0.35
ACACB O00763 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 2/20 0.31
THRB P10828 1/20 0.31
IDH1 O75874 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL20852582 0.81 FFAR2 (0.34) HCAR3TLR8TLR7FFAR2
SCHEMBL22827198 0.79 FFAR2 (0.35) FFAR2
SCHEMBL15836949 0.77
SCHEMBL4723461 0.70 TLR8 (0.45) UTS2RELANEHCAR3TLR8TLR7
SCHEMBL24567768 0.69 TLR8 (0.48) UTS2RELANEHCAR3TLR8TLR7
SCHEMBL30593321 0.69 TLR8 (0.48) UTS2RELANEHCAR3TLR8TLR7
SCHEMBL4765496 0.69
SCHEMBL4722379 0.69
SCHEMBL6835552 0.68 FAAH (0.36)
SCHEMBL21018364 0.68 TLR8 (0.47) UTS2RHCAR3TLR8TLR7SMN1; SMN2

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
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
US-5380738-A Side effect reduction MONSANTO COMPANY (US) 1995-01-10 US disclosed
WO-1994027980-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1994-12-08 WO disclosed
US-4150143-A N-Substituted-acylamino-oxazoles as antiasthma agents LILLY INDUSTRIES LIMITED (GB) 1979-04-17 US disclosed
US-4143047-A 2-SULFINYL AND 2-SULFONYL OXAZOLES LILLY INDUSTRIES LIMITED (GB) 1979-03-06 US disclosed
US-4122183-A ANTIASTHMATIC LILLY INDUSTRIES LIMITED (GB) 1978-10-24 US disclosed