SCHEMBL5793202

SCHEMBL5793202

NC(CO)(CO)CCCc1ccc(Oc2ccc(OCc3ccccc3)cc2)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 11/20 0.57
S1PR3 Q99500 4/20 0.57
FFAR1 O14842 5/20 0.43
FFAR4 Q5NUL3 3/20 0.43
LTA4H P09960 1/20 0.42
EPHX2 P34913 1/20 0.42
PRKX P51817 1/20 0.41
ACVR1 Q04771 1/20 0.41
S1PR5 Q9H228 1/20 0.41
MAOB P27338 1/20 0.40
GSTP1 P09211 1/20 0.40
PARP10 Q53GL7 1/20 0.40

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
SCHEMBL1449658 0.94 S1PR1 (0.53) S1PR1S1PR3FFAR1FFAR4PRKX
Hydrochloric Acid SCHEMBL3109957 0.93 S1PR1 (0.52) S1PR1S1PR3FFAR1FFAR4LTA4H
SCHEMBL3112604 0.91 S1PR1 (0.52) S1PR1S1PR3FFAR1FFAR4PRKX
Hydrochloric Acid SCHEMBL3120105 0.90 S1PR1 (0.52) S1PR1S1PR3FFAR1FFAR4LTA4H
SCHEMBL777075 0.87 S1PR1 (0.60) S1PR1S1PR3FFAR1FFAR4PRKX
Hydrochloric Acid SCHEMBL3122033 0.86 S1PR1 (0.59) S1PR1S1PR3FFAR1FFAR4LTA4H
SCHEMBL3110012 0.85 S1PR1 (0.45) S1PR1S1PR3MAOB
SCHEMBL3513167 0.84 S1PR1 (0.48) S1PR1S1PR3FFAR1FFAR4PRKX
SCHEMBL3510909 0.84 S1PR1 (0.48) S1PR1S1PR3FFAR1FFAR4PRKX
SCHEMBL3107537 0.84 S1PR1 (0.44) S1PR1S1PR3FFAR1FFAR4MAOB

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-2006041015-A1 AMINO ALCOHOL DERIVATIVE, ADDITION SALT THEREOF AND IMMUNOSUPPRESSIVE AGENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2006-04-20 WO disclosed