SCHEMBL8499336

SCHEMBL8499336

[CH2]Cc1ccc(CCCCCCCCCC)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
MAPT P10636 4/20 0.51
NPC1 O15118 4/20 0.51
STAT3 P40763 1/20 0.51
ATM Q13315 1/20 0.51
L3MBTL1 Q9Y468 4/20 0.47
CASP3 P42574 2/20 0.47
SENP8 Q96LD8 2/20 0.47
SENP7 Q9BQF6 2/20 0.47
SENP6 Q9GZR1 2/20 0.47
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HPGD P15428 2/20 0.46
USP2 O75604 1/20 0.46
GAA P10253 1/20 0.46
TDP1 Q9NUW8 2/20 0.46

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
SCHEMBL8496684 1.00 RAB9A (0.51) RAB9ASMN1; SMN2MAPTNPC1STAT3
SCHEMBL11575820 0.89 RAB9A (0.54) RAB9ASMN1; SMN2MAPTNPC1STAT3
SCHEMBL31190152 0.87 RAB9A (0.51) RAB9ASMN1; SMN2MAPTNPC1STAT3
SCHEMBL28879024 0.87 RAB9A (0.55) RAB9ASMN1; SMN2MAPTNPC1STAT3
SCHEMBL30542615 0.87 RAB9A (0.55) RAB9ASMN1; SMN2MAPTNPC1STAT3
SCHEMBL29058183 0.87 RAB9A (0.55) RAB9ASMN1; SMN2MAPTNPC1STAT3
SCHEMBL22368184 0.87 RAB9A (0.55) RAB9ASMN1; SMN2MAPTNPC1STAT3
SCHEMBL8499534 0.86 KCNH2 (0.46) RAB9ASMN1; SMN2MAPTNPC1STAT3
SCHEMBL8498911 0.86 KCNH2 (0.46) RAB9ASMN1; SMN2MAPTNPC1STAT3
SCHEMBL23531409 0.86 RAB9A (0.54) RAB9ASMN1; SMN2MAPTNPC1STAT3

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