SCHEMBL9737780

SCHEMBL9737780

NC(=O)N(O)C1CCn2c1cc1cc(OCc3ccccc3)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.47
S1PR1 P21453 7/20 0.47
S1PR4 O95977 1/20 0.45
S1PR5 Q9H228 1/20 0.45

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
SCHEMBL9737528 0.85 GALR3 (0.42)
SCHEMBL2207599 0.79 S1PR1 (0.69) SRD5A2S1PR1S1PR4S1PR5
SCHEMBL12320536 0.79 S1PR1 (0.69) SRD5A2S1PR1S1PR4S1PR5
SCHEMBL9738041 0.79 MEN1 (0.47) SRD5A2S1PR1S1PR4S1PR5
SCHEMBL9735960 0.78 S1PR1 (0.36) S1PR1S1PR5
SCHEMBL9736001 0.76 AHR (0.41) S1PR1
SCHEMBL14327987 0.76 S1PR1 (0.53) SRD5A2S1PR1S1PR4S1PR5
SCHEMBL14327899 0.76 S1PR1 (0.53) SRD5A2S1PR1S1PR4S1PR5
SCHEMBL14329051 0.75 S1PR1 (0.54) SRD5A2S1PR1S1PR4S1PR5
SCHEMBL12320539 0.74 S1PR1 (0.59) SRD5A2S1PR1S1PR4S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992021678-A1 LIPOXYGENASE INHIBITING PYRROLO [1,2a]INDOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1992-12-10 WO disclosed