SCHEMBL10678596

SCHEMBL10678596

CC(=O)CC(=O)OCCCCOc1cccc(CCCOC2CCCCO2)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
ACACB O00763 3/20 0.43
ACACA Q13085 1/20 0.43
FKBP1A P62942 1/20 0.42
KDM4C Q9H3R0 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
CYP2D6 P10635 6/20 0.38
KCNH2 Q12809 1/20 0.37

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
SCHEMBL10684705 0.99 MEN1 (0.48) MEN1KMT2ACNR1CNR2ACACB
SCHEMBL10677816 0.98 MEN1 (0.49) MEN1KMT2ACNR1CNR2ACACB
SCHEMBL10682289 0.98 MEN1 (0.49) MEN1KMT2ACNR1CNR2ACACB
SCHEMBL10682241 0.97 MEN1 (0.48) MEN1KMT2ACNR1CNR2ACACB
SCHEMBL10684106 0.96 MEN1 (0.49) MEN1KMT2ACNR1CNR2ACACB
SCHEMBL10683532 0.95 MEN1 (0.47) MEN1KMT2ACNR1CNR2ACACB
SCHEMBL10681788 0.92 MEN1 (0.46) MEN1KMT2ACNR1CNR2ACACB
SCHEMBL10683635 0.88 MEN1 (0.58) MEN1KMT2AACACBKDM4CNPC1
SCHEMBL10684274 0.87 MEN1 (0.57) MEN1KMT2AACACBFKBP1AKDM4C
SCHEMBL10679023 0.86 MEN1 (0.58) MEN1KMT2AACACBFKBP1AKDM4C

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
US-4761420-A CARDIOVASCULAR DISORDERS LABORATOIRES SYNTEX S.A. (FR) 1988-08-02 US disclosed
EP-0249245-A2 Antihypertensive dihydropyridine derivatives LABORATOIRES SYNTEX S.A. (FR) 1987-12-16 EP disclosed