SCHEMBL15087754

SCHEMBL15087754

C[C@H](O)CNC(=O)c1ccc(-c2ccc(O)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.51
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NAMPT P43490 2/20 0.48
HSD17B1 P14061 1/20 0.47
MPO P05164 1/20 0.47
CYP3A4 P08684 1/20 0.47
KDM5A P29375 1/20 0.47
BLM P54132 1/20 0.47
GFER P55789 1/20 0.47
PMP22 Q01453 1/20 0.47
HIF1A Q16665 1/20 0.47
MLYCD O95822 1/20 0.46
ACSS2 Q9NR19 1/20 0.46
PRF1 P14222 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
DEGS1 O15121 1/20 0.45
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL9668334 0.95 MPO (0.52) HPGDNPC1RAB9ASMN1; SMN2NAMPT
SCHEMBL15087731 0.87 NPC1 (0.65) HPGDNPC1RAB9ASMN1; SMN2NAMPT
SCHEMBL15090036 0.87 NPC1 (0.65) HPGDNPC1RAB9ASMN1; SMN2NAMPT
SCHEMBL16373032 0.87 NPC1 (0.65) HPGDNPC1RAB9ASMN1; SMN2NAMPT
SCHEMBL15087755 0.87 EPHX2 (0.54) HPGDNPC1RAB9ASMN1; SMN2NAMPT
SCHEMBL15087819 0.87 LMNA (0.51) HPGDNPC1RAB9ASMN1; SMN2NAMPT
SCHEMBL14224151 0.84 TAOK1 (0.55) HPGDNPC1RAB9ASMN1; SMN2NAMPT
SCHEMBL162726 0.82 MLYCD (0.65) HPGDNPC1RAB9ASMN1; SMN2NAMPT
SCHEMBL24386356 0.81 LMNA (0.56) HPGDNPC1RAB9ASMN1; SMN2NAMPT
SCHEMBL5800429 0.81 LMNA (0.56) HPGDNPC1RAB9ASMN1; SMN2NAMPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2797946-B1 SIALIC ACID DIMERS BROSSMER REINHARD (DE) 2016-05-04 EP disclosed
WO-2015128344-A1 SIALIC ACID DERIVATIVES BROSSMER REINHARD (DE) 2015-09-03 WO disclosed
EP-2610263-A1 Sialic acid dimers Brossmer, Reinhard (DE) 2013-07-03 EP disclosed