SCHEMBL9625869

SCHEMBL9625869

CCCCCCCCc1cnc(-c2ccc(OCC(C)OC(=O)CCC)cc2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.56
RAB9A P51151 7/20 0.45
MAPT P10636 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.44
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 2/20 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
NPC1 O15118 5/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
S1PR1 P21453 3/20 0.40
PLA2G4A P47712 1/20 0.40
S1PR4 O95977 2/20 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
SCHEMBL9624559 1.00 RARB (0.56) RARBRAB9AMAPTL3MBTL1SMN1; SMN2
SCHEMBL10703432 0.99 RARB (0.55) RARBRAB9AMAPTL3MBTL1SMN1; SMN2
SCHEMBL9357471 0.99 RARB (0.55) RARBRAB9AMAPTL3MBTL1SMN1; SMN2
SCHEMBL9624350 0.96 RARB (0.56) RARBRAB9AMAPTL3MBTL1SMN1; SMN2
SCHEMBL9625486 0.96 RARB (0.56) RARBRAB9AMAPTL3MBTL1SMN1; SMN2
SCHEMBL10702596 0.95 RARB (0.55) RARBRAB9AMAPTL3MBTL1SMN1; SMN2
SCHEMBL9361686 0.95 RARB (0.55) RARBRAB9AMAPTL3MBTL1SMN1; SMN2
SCHEMBL9357791 0.95 RARB (0.55) RARBRAB9AMAPTL3MBTL1SMN1; SMN2
SCHEMBL10702668 0.95 RARB (0.55) RARBRAB9AMAPTL3MBTL1SMN1; SMN2
SCHEMBL9347723 0.93 RARB (0.47) RARBRAB9AMAPTL3MBTL1SMN1; SMN2

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