SCHEMBL8518767

SCHEMBL8518767

CCCCCC1=C(CCCCC)CC2(CCC2)C1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.37
NR5A1 Q13285 13/20 0.32
NR5A2 O00482 10/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL8519357 0.96 SCD (0.37) SCDNR5A1NR5A2MEN1KMT2A
SCHEMBL7601556 0.91 SCD (0.39) SCDNR5A1NR5A2
SCHEMBL8517952 0.77 CYP3A4 (0.36) NR5A1NR5A2
SCHEMBL822308 0.69 SCD (0.43) SCDMEN1KMT2A
SCHEMBL2335039 0.68 SCD (0.46) SCDMEN1KMT2A
SCHEMBL3802053 0.68 SCD (0.64) SCD
SCHEMBL20339953 0.67 MEN1 (0.42) SCDMEN1KMT2A
SCHEMBL5346762 0.67 SCD (0.47) SCDMEN1KMT2A
SCHEMBL678379 0.67 MEN1 (0.42) SCDMEN1KMT2A
SCHEMBL7753696 0.66 SCD (0.68) SCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0743938-B1 SUBSTITUTED SPIRO COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 1999-04-21 EP disclosed
EP-0743938-A1 SUBSTITUTED SPIRO COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-11-27 EP disclosed
WO-1995030652-A1 SUBSTITUTED SPIRODIENES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-11-16 WO disclosed
WO-1995021817-A1 SUBSTITUTED SPIRO COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-08-17 WO disclosed
US-5393790-A Diphenyl- or phenyl/pyridyl-substituted spiroheptenes, -octenes,-nonenes or -decenes; cyclooxygenase II inhibitors; side effect reduction; antipyretics; antiarthritic agents G.D. SEARLE & CO. (US) 1995-02-28 US disclosed