SCHEMBL9625987

SCHEMBL9625987

CCCCCCCCOc1cnc(-c2ccc(OCCC(C)OC(=O)CCC)cc2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.48
NPC1 O15118 7/20 0.47
RAB9A P51151 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPT P10636 2/20 0.46
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
ALDH1A1 P00352 1/20 0.45
PLA2G4B P0C869 2/20 0.44
THRA P10827 2/20 0.43
THRB P10828 2/20 0.43
ACACB O00763 1/20 0.43
LMNA P02545 2/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
POLB P06746 1/20 0.42
PPARG P37231 1/20 0.42

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
SCHEMBL9624367 0.96 RARB (0.48) RARBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9625343 0.96 RARB (0.48) RARBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9624096 0.91 RARB (0.48) RARBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9361291 0.90 RARB (0.50) RARBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9624647 0.90 RARB (0.56) RARBTP53TSHRPLA2G4BTHRA
SCHEMBL9238536 0.87 RARB (0.46) RARBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9238701 0.87 RARB (0.46) RARBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9239319 0.87 RARB (0.46) RARBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9238359 0.87 RARB (0.46) RARBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9624810 0.87 RARB (0.48) RARBNPC1RAB9ASMN1; 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