SCHEMBL8797679

SCHEMBL8797679

C=CCOC(=O)N1CCC(C(=O)Cl)CC1.C=CCOC(=O)N1CCC(C(=O)O)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
GAA P10253 1/20 0.41
GPR119 Q8TDV5 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 2/20 0.37
MAPK1 P28482 1/20 0.37
CHRM1 P11229 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.35
POLB P06746 2/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL8797508 0.94 GAA (0.45) RAB9ASMN1; SMN2NPC1GAAGPR119
SCHEMBL5454532 0.93 SMN1; SMN2 (0.54) RAB9ASMN1; SMN2NPC1GAAGPR119
SCHEMBL9389295 0.84 SMN1; SMN2 (0.44) RAB9ASMN1; SMN2NPC1GAAGPR119
SCHEMBL9381172 0.84 SMN1; SMN2 (0.44) RAB9ASMN1; SMN2NPC1GAAGPR119
SCHEMBL9381176 0.84 SMN1; SMN2 (0.44) RAB9ASMN1; SMN2NPC1GAAGPR119
SCHEMBL18056303 0.79 GAA (0.49) RAB9ASMN1; SMN2NPC1GAAGPR119
SCHEMBL9386410 0.77 RAB9A (0.36) RAB9ASMN1; SMN2NPC1GAAGPR119
SCHEMBL3248801 0.77 GPR119 (0.42) RAB9ASMN1; SMN2NPC1GAAGPR119
SCHEMBL9388775 0.77 GAA (0.50) RAB9ASMN1; SMN2NPC1GAAGPR119
SCHEMBL30677893 0.77 GAA (0.52) RAB9ASMN1; SMN2NPC1GAAALDH1A1

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
EP-0542671-B1 Substituted hydroquinone derivatives as intermediates of benzofuran derivatives CIBA GEIGY AG (CH) 1997-01-02 EP disclosed
EP-0542671-A1 Substituted hydroquinone derivatives as intermediates of benzofuran derivatives CIBA-GEIGY AG (CH) 1993-05-19 EP disclosed