SCHEMBL8499586

SCHEMBL8499586

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(CO)(CO)CCCCCCCCCCCCCCCCCC

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 3/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.37
GGPS1 O95749 3/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
FDPS P14324 5/20 0.35

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
SCHEMBL4954478 0.94 ALDH1A1 (0.39) DNM1ALDH1A1LMNAHSD17B10MEN1
SCHEMBL10949520 0.87 ALDH1A1 (0.40) ALDH1A1CA12CA1CA9FDPS
SCHEMBL28665862 0.87 DNM1 (0.46) DNM1TSHRGGPS1CA12CA1
SCHEMBL28403203 0.87 DNM1 (0.46) DNM1TSHRGGPS1CA12CA1
SCHEMBL9463571 0.86 LMNA (0.41) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL28939280 0.83 SMN1; SMN2 (0.44) ALDH1A1LMNAHSD17B10MEN1KMT2A
Hydrochloric Acid SCHEMBL22263437 0.80 DNM1 (0.42) DNM1TSHRGGPS1FDPS
Hydrochloric Acid SCHEMBL22263500 0.80 DNM1 (0.42) DNM1TSHRGGPS1FDPS
SCHEMBL8499163 0.78 LMNA (0.40) DNM1ALDH1A1LMNAHSD17B10MEN1
SCHEMBL8498056 0.78 LMNA (0.40) DNM1ALDH1A1LMNAHSD17B10MEN1

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 5 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
EP-0627406-B1 2-AMINO-1,3-PROPANEDIOL COMPOUND AND IMMUNOSUPPRESSANT YOSHITOMI PHARMACEUTICAL (JP) 1998-10-28 EP disclosed
US-5719176-A 2-amino-1,3-propanediol compound and immunosuppressant YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-02-17 US disclosed
US-5604229-A 2-amino-1,3-propanediol compound and immunosuppressant YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-02-18 US disclosed
EP-0627406-A1 2-AMINO-1,3-PROPANEDIOL COMPOUND AND IMMUNOSUPPRESSANT YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-12-07 EP disclosed