SCHEMBL9625237

SCHEMBL9625237

CCCCCCCCc1cnc(-c2ccc(OCCC(C)OC(=O)CC)cc2)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.55
RAB9A P51151 8/20 0.45
NPC1 O15118 6/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
KDM4E B2RXH2 3/20 0.45
HSD17B10 Q99714 3/20 0.45
MAPT P10636 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.41
XIAP P98170 1/20 0.40
PLA2G4A P47712 1/20 0.40
NFKB1 P19838 1/20 0.40

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
SCHEMBL9624390 0.93 RARB (0.54) RARBRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL9623890 0.89 RARB (0.54) RARBRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL9624891 0.89 RARB (0.54) RARBRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL9097155 0.85 RARB (0.46) RARBRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL9238185 0.85 RARB (0.62) RARBRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL9240113 0.85 RARB (0.62) RARBRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL9239700 0.85 RARB (0.62) RARBRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL9236089 0.85 RARB (0.62) RARBRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL9624985 0.84 RARB (0.48) RARBRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL9624607 0.84 RARB (0.48) RARBRAB9ANPC1SMN1; SMN2KDM4E

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-0255219-B1 OMEGA-SUBSTITUTED, OPTICALLY ACTIVE 2-ALKANOL ESTER DERIVATIVES Chisso Corporation (JP) 1992-03-11 EP disclosed
US-5047172-A W-substituted, optically active alkanol ester derivatives CHISSO CORPORATION (JP) 1991-09-10 US disclosed