SCHEMBL946594

SCHEMBL946594

CCOC(=O)CC1OCCn2c1cc1cc(OCc3ccccc3)ccc12

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 12/20 0.56
SRD5A2 P31213 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HSP90AA1 P07900 1/20 0.42
LTB4R Q15722 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.42
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
S1PR5 Q9H228 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL12320539 0.84 S1PR1 (0.59) S1PR1SRD5A2MEN1KMT2ANPC1
SCHEMBL947071 0.83 S1PR1 (0.44) S1PR1MEN1KMT2AMAOB
SCHEMBL946723 0.81 S1PR1 (0.84) S1PR1S1PR5
SCHEMBL945998 0.75 S1PR1 (0.54) S1PR1SRD5A2MEN1KMT2ANPC1
SCHEMBL12944511 0.74 S1PR1 (0.79) S1PR1S1PR5
SCHEMBL2207599 0.74 S1PR1 (0.69) S1PR1SRD5A2S1PR5
SCHEMBL12320536 0.74 S1PR1 (0.69) S1PR1SRD5A2S1PR5
SCHEMBL14321367 0.72 S1PR1 (0.57) S1PR1SRD5A2MEN1KMT2ANPC1
SCHEMBL2019616 0.72 S1PR1 (0.57) S1PR1SRD5A2MEN1KMT2ANPC1
SCHEMBL14327899 0.72 S1PR1 (0.53) S1PR1SRD5A2MEN1KMT2ANPC1

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-2011005295-A1 MODULATORS OF THE SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2011-01-13 WO disclosed