SCHEMBL9623890

SCHEMBL9623890

CCCCCCCCc1cnc(-c2ccc(OCCCC(C)OC(=O)CCCC)cc2)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.54
RAB9A P51151 7/20 0.44
NPC1 O15118 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 3/20 0.44
MAPT P10636 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
CNR2 P34972 4/20 0.42
CNR1 P21554 2/20 0.42
PLA2G4A P47712 1/20 0.41
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 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
SCHEMBL9624891 0.96 RARB (0.54) RARBRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL9624390 0.94 RARB (0.54) RARBRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL9625486 0.90 RARB (0.56) RARBRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL10702596 0.89 RARB (0.55) RARBRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL9625237 0.89 RARB (0.55) RARBRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL9361686 0.89 RARB (0.55) RARBRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL9624096 0.89 RARB (0.48) RARBRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL9624985 0.88 RARB (0.48) RARBRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL9624350 0.88 RARB (0.56) RARBRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL10702668 0.87 RARB (0.55) 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