SCHEMBL6531435

SCHEMBL6531435

CCCCOc1ccc(-c2ccc(CCC(N)(CO)CO)cc2)cc1F

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 13/20 0.78
S1PR3 Q99500 5/20 0.55
TNNC1 P63316 6/20 0.53
S1PR4 O95977 2/20 0.53
S1PR5 Q9H228 2/20 0.53
SGPL1 O95470 1/20 0.53
GPR183 P32249 1/20 0.53
CERS2 Q96G23 1/20 0.53
SPHK2 Q9NRA0 2/20 0.47
SPHK1 Q9NYA1 1/20 0.47
S1PR2 O95136 1/20 0.46

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
SCHEMBL6526785 0.88 S1PR1 (1.00) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL6529129 0.86 S1PR1 (0.78) S1PR1S1PR3TNNC1S1PR4S1PR5
Hydrochloric Acid SCHEMBL6507340 0.85 S1PR1 (0.76) S1PR1S1PR3TNNC1S1PR4S1PR5
SCHEMBL10974820 0.82 S1PR1 (0.56) S1PR1S1PR3S1PR2
SCHEMBL10980009 0.82 S1PR1 (0.56) S1PR1S1PR3S1PR2
SCHEMBL6529053 0.81 S1PR1 (0.78) S1PR1S1PR3TNNC1S1PR4S1PR5
SCHEMBL9398849 0.81 RARB (0.57) S1PR1S1PR3S1PR2
SCHEMBL9399749 0.81 RARB (0.57) S1PR1S1PR3S1PR2
Hydrochloric Acid SCHEMBL6506579 0.81 S1PR1 (0.62) S1PR1S1PR3TNNC1S1PR4S1PR5
Hydrochloric Acid SCHEMBL6527438 0.81 S1PR1 (0.76) S1PR1S1PR3TNNC1S1PR4S1PR5

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-2005014525-A2 BI-ARYL COMPOUND HAVING IMMUNOSUPPRESSIVE ACTIVITY MITSUBISHI PHARMA CORPORATION (JP) 2005-02-17 WO claimed