SCHEMBL8604081

SCHEMBL8604081

CCCCCC1CCCCC1NC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
MME P08473 1/20 0.40
EPHX1 P07099 11/20 0.40
ALOX5 P09917 1/20 0.39
EPHX2 P34913 2/20 0.39
NAAA Q02083 1/20 0.37

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
SCHEMBL2321529 0.83 TRPV1 (0.52) NAAA
SCHEMBL27585361 0.81 TRPV1 (0.58) NAAA
SCHEMBL29315201 0.80 MME (0.41) S1PR1S1PR3MMEEPHX1EPHX2
SCHEMBL9343156 0.79 S1PR1 (0.44) S1PR1S1PR3EPHX1ALOX5EPHX2
SCHEMBL12901103 0.77 EPHX1 (0.50) S1PR1S1PR3EPHX1EPHX2NAAA
SCHEMBL2864322 0.77 MME (0.40) S1PR1S1PR3MMEEPHX1ALOX5
SCHEMBL2863809 0.77 MME (0.38) S1PR1S1PR3MMEEPHX1ALOX5
SCHEMBL2855042 0.76 MME (0.40) S1PR1S1PR3MMEEPHX1ALOX5
SCHEMBL2860555 0.76 S1PR1 (0.39) S1PR1S1PR3MMEEPHX1ALOX5
SCHEMBL10501536 0.75 CNR2 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5767113-A Compounds useful for concurrently activating glucocorticoid-induced response and reducing multidrug resistance THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1998-06-16 US disclosed
WO-1996035426-A1 COMPOUNDS USEFUL FOR CONCURRENTLY ACTIVATING GLUCOCORTICOID-INDUCED RESPONSE AND REDUCING MULTIDRUG RESISTANCE THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1996-11-14 WO disclosed