SCHEMBL16847450

SCHEMBL16847450

NNCCC[C@H](N)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 8/20 0.53
▸ SPHK2 Q9NRA0 1/20 0.52
▸ S1PR1 P21453 7/20 0.45
▸ S1PR3 Q99500 7/20 0.45
▸ S1PR4 O95977 5/20 0.45
▸ S1PR5 Q9H228 5/20 0.45
▸ LTA4H P09960 3/20 0.45
▸ S1PR2 O95136 2/20 0.45
▸ CHEK1 O14757 1/20 0.41
▸ KDM1A O60341 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
SCHEMBL20272988 0.86 SPHK1 (0.51) SPHK1SPHK2S1PR1S1PR3S1PR4
SCHEMBL12634418 0.86 SPHK1 (0.51) SPHK1SPHK2S1PR1S1PR3S1PR4
SCHEMBL17801791 0.86 SPHK1 (0.51) SPHK1SPHK2S1PR1S1PR3S1PR4
SCHEMBL17661962 0.85 LTA4H (0.56) SPHK1SPHK2S1PR1S1PR3S1PR4
SCHEMBL17637516 0.85 LTA4H (0.56) SPHK1SPHK2S1PR1S1PR3S1PR4
SCHEMBL26266218 0.84 SPHK1 (0.68) SPHK1SPHK2S1PR1S1PR3S1PR4
SCHEMBL13258710 0.84 LTA4H (0.62) SPHK1SPHK2S1PR1S1PR3S1PR4
SCHEMBL18867987 0.84 SPHK1 (0.49) SPHK1SPHK2S1PR1S1PR3S1PR4
SCHEMBL24395095 0.83 SPHK1 (0.57) SPHK1SPHK2S1PR1S1PR3S1PR4
SCHEMBL14850430 0.83 SPHK1 (0.57) SPHK1SPHK2S1PR1S1PR3S1PR4

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-2016054315-A1 METHOD OF CONJUGATING A POLYPEPTIDE MEDIMMUNE, LLC (US) 2016-04-07 — — WO disclosed
WO-2015095227-A2 PEPTIDOMIMETIC COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF GENENTECH, INC. (US) 2015-06-25 — — WO disclosed
Send feedback