SCHEMBL25904640

SCHEMBL25904640

CC(=O)CCc1[nH]c2ccc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)cc2c1C

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.59
S1PR4 O95977 3/20 0.59
S1PR5 Q9H228 3/20 0.59
ADORA3 P0DMS8 1/20 0.59
S1PR2 O95136 1/20 0.57
S1PR3 Q99500 1/20 0.57

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
SCHEMBL22077168 0.93 S1PR1 (0.64) S1PR1S1PR4S1PR5ADORA3S1PR2
SCHEMBL22077731 0.91 S1PR1 (0.59) S1PR1S1PR4S1PR5ADORA3S1PR2
SCHEMBL25715612 0.90 S1PR1 (0.57) S1PR1S1PR4S1PR5ADORA3S1PR2
SCHEMBL25904004 0.88 S1PR1 (0.60) S1PR1S1PR4S1PR5ADORA3S1PR2
SCHEMBL25713118 0.87 S1PR1 (0.58) S1PR1S1PR4S1PR5ADORA3S1PR2
SCHEMBL22077270 0.86 S1PR1 (0.56) S1PR1S1PR4S1PR5ADORA3S1PR2
SCHEMBL22074530 0.85 S1PR1 (0.57) S1PR1S1PR4S1PR5ADORA3S1PR2
SCHEMBL22077159 0.84 S1PR1 (0.63) S1PR1S1PR4S1PR5ADORA3S1PR2
SCHEMBL22077163 0.84 S1PR1 (0.64) S1PR1S1PR4S1PR5ADORA3S1PR2
SCHEMBL22077844 0.84 S1PR1 (0.58) S1PR1S1PR4S1PR5ADORA3S1PR2

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-2023125397-A1 PREPARATION METHOD FOR AROMATIC RING DERIVATIVE FOR IMMUNE REGULATION 上海济煜医药科技有限公司 2023-07-06 WO disclosed