SCHEMBL8525809

SCHEMBL8525809

NC(CO)(CO)CCc1ccc(OCCCCCCc2ccc(F)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 12/20 0.57
S1PR3 Q99500 8/20 0.57
S1PR4 O95977 6/20 0.57
S1PR5 Q9H228 6/20 0.57
TNNC1 P63316 5/20 0.57
SGPL1 O95470 1/20 0.57
GPR183 P32249 1/20 0.57
CERS2 Q96G23 1/20 0.57
SPHK2 Q9NRA0 2/20 0.50
SPHK1 Q9NYA1 1/20 0.50
S1PR2 O95136 3/20 0.48
ALOX15 P16050 1/20 0.47

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
SCHEMBL8496107 0.88 S1PR1 (0.58) S1PR1S1PR3S1PR4S1PR5TNNC1
SCHEMBL8499382 0.88 S1PR1 (0.58) S1PR1S1PR3S1PR4S1PR5TNNC1
SCHEMBL8497910 0.88 S1PR1 (0.58) S1PR1S1PR3S1PR4S1PR5TNNC1
SCHEMBL8496719 0.88 S1PR1 (0.58) S1PR1S1PR3S1PR4S1PR5TNNC1
Hydrochloric Acid SCHEMBL6245642 0.86 S1PR1 (0.59) S1PR1S1PR3S1PR4S1PR5TNNC1
SCHEMBL8498823 0.86 S1PR1 (0.60) S1PR1S1PR3S1PR4S1PR5TNNC1
SCHEMBL3394788 0.86 S1PR1 (0.56) S1PR1S1PR3S1PR4S1PR5TNNC1
SCHEMBL5993596 0.86 FFAR1 (0.57) S1PR1S1PR3S1PR4S1PR5TNNC1
SCHEMBL3392638 0.86 S1PR1 (0.56) S1PR1S1PR3S1PR4S1PR5TNNC1
SCHEMBL8496393 0.86 S1PR1 (0.60) S1PR1S1PR3S1PR4S1PR5TNNC1

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
US-5952316-A FOR TREATING AUTOIMMUNE DISEASES, E.G., RHEUMATIOD ARTHRITIS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-09-14 US disclosed
US-5719176-A 2-amino-1,3-propanediol compound and immunosuppressant YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-02-17 US disclosed