SCHEMBL2833932

SCHEMBL2833932

CCCCCCCCc1cccc2c1CCN2CC(CO)(NC(C)(CN1CCc2cc(OCc3cc4cc(CCC)ccc4o3)ccc21)C(CCC(O)O)(CCC(O)O)CCC(O)O)C(N)O

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.36

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
SCHEMBL566696 0.72 S1PR1 (0.62) S1PR1
SCHEMBL813782 0.72 S1PR1 (0.49) S1PR1
SCHEMBL565088 0.60 S1PR1 (0.59) S1PR1
SCHEMBL566250 0.57 S1PR1 (1.00) S1PR1
SCHEMBL566239 0.54 S1PR1 (1.00) S1PR1
SCHEMBL566651 0.52 S1PR1 (0.87) S1PR1
SCHEMBL18067896 0.51 ESR1 (0.42) S1PR1
SCHEMBL566611 0.51 CA12 (0.42)
SCHEMBL10632631 0.51 MAPK1 (0.61)
SCHEMBL9261634 0.51 ADRB2 (0.40)

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-2010042998-A1 S1P RECEPTORS MODULATORS AKAAL PHARMA PTY LTD (AU) 2010-04-22 WO claimed