SCHEMBL6502901

SCHEMBL6502901

CCCCCc1ccc(-c2ccc(CCC(N)(CO)CO)cc2)cc1

nearest known ligand 0.88

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 10/20 0.88
S1PR3 Q99500 7/20 0.88
TNNC1 P63316 6/20 0.88
S1PR4 O95977 6/20 0.88
S1PR5 Q9H228 5/20 0.88
SGPL1 O95470 1/20 0.88
GPR183 P32249 1/20 0.88
CERS2 Q96G23 1/20 0.88
SPHK2 Q9NRA0 3/20 0.69
SPHK1 Q9NYA1 1/20 0.69
S1PR2 O95136 4/20 0.66
ENPP2 Q13822 1/20 0.63
RARB P10826 1/20 0.55

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
SCHEMBL6529926 0.98 S1PR1 (0.91) S1PR1S1PR3TNNC1S1PR4S1PR5
Hydrochloric Acid SCHEMBL6529334 0.98 S1PR1 (0.88) S1PR1S1PR3TNNC1S1PR4S1PR5
SCHEMBL6528485 0.98 S1PR1 (0.91) S1PR1S1PR3TNNC1S1PR4S1PR5
SCHEMBL5399738 0.98 S1PR1 (0.91) S1PR1S1PR3TNNC1S1PR4S1PR5
Hydrochloric Acid SCHEMBL6240646 0.97 S1PR1 (0.91) S1PR1S1PR3TNNC1S1PR4S1PR5
SCHEMBL6526970 0.94 S1PR1 (0.77) S1PR1S1PR3TNNC1S1PR4S1PR5
SCHEMBL3394797 0.93 S1PR1 (1.00) S1PR1S1PR3TNNC1S1PR4S1PR5
SCHEMBL3390328 0.93 S1PR1 (1.00) S1PR1S1PR3TNNC1S1PR4S1PR5
SCHEMBL18904548 0.93 S1PR1 (1.00) S1PR1S1PR3TNNC1S1PR4S1PR5
Fingolimod SCHEMBL7445 0.93 S1PR1 (1.00) 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 2 patents. 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
WO-2005014525-A2 BI-ARYL COMPOUND HAVING IMMUNOSUPPRESSIVE ACTIVITY MITSUBISHI PHARMA CORPORATION (JP) 2005-02-17 WO disclosed