SCHEMBL28656331

SCHEMBL28656331

CCCCCCCCCCCCCCCCCN(C)CC(O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 4/20 0.58
DNM1 Q05193 3/20 0.48
S1PR2 O95136 1/20 0.47
S1PR1 P21453 1/20 0.47
S1PR3 Q99500 1/20 0.47
S1PR5 Q9H228 1/20 0.47
KDM4C Q9H3R0 6/20 0.43
KDM5A P29375 5/20 0.43
PHF8 Q9UPP1 2/20 0.43
KDM5C P41229 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
KDM4A O75164 2/20 0.40
FDPS P14324 1/20 0.39
AGTR1 P30556 1/20 0.39
OPRM1 P35372 1/20 0.39
PDE3A Q14432 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL3281580 1.00 GGPS1 (0.58) GGPS1DNM1S1PR2S1PR1S1PR3
SCHEMBL1704645 1.00 GGPS1 (0.58) GGPS1DNM1S1PR2S1PR1S1PR3
SCHEMBL4302348 1.00 GGPS1 (0.58) GGPS1DNM1S1PR2S1PR1S1PR3
SCHEMBL8872206 1.00 GGPS1 (0.58) GGPS1DNM1S1PR2S1PR1S1PR3
SCHEMBL1704365 1.00 GGPS1 (0.58) GGPS1DNM1S1PR2S1PR1S1PR3
Hydrochloric Acid SCHEMBL721020 0.98 GGPS1 (0.56) GGPS1DNM1S1PR2S1PR1S1PR3
Bromide SCHEMBL9575767 0.98 GGPS1 (0.56) GGPS1DNM1S1PR2S1PR1S1PR3
Hydrochloric Acid SCHEMBL4895234 0.98 GGPS1 (0.56) GGPS1DNM1S1PR2S1PR1S1PR3
Hydrochloric Acid SCHEMBL1656037 0.98 GGPS1 (0.56) GGPS1DNM1S1PR2S1PR1S1PR3
Hydrochloric Acid SCHEMBL10663604 0.98 GGPS1 (0.56) GGPS1DNM1S1PR2S1PR1S1PR3

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
CN-110305478-B Wear-resistant material, preparation method thereof and wear-resistant part 贵州省材料技术创新基地 2021-11-02 CN disclosed