SCHEMBL6158294

SCHEMBL6158294

CCC(O)(CC)CCCNc1cccc(OCc2ccc(C(O)O)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
APP P05067 1/20 0.41
MAOB P27338 4/20 0.41
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
PKM P14618 1/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 1/20 0.39
BLM P54132 1/20 0.39
CASP6 P55212 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL6883442 0.84 BCHE (0.52) MEN1THRBKMT2AKDM4ESMN1; SMN2
SCHEMBL6158285 0.82 VDR (0.49) PDK1PDK2PDK3PDK4APP
SCHEMBL6888584 0.82 KMT2A (0.42) MEN1ALDH1A1LMNAMAPTRECQL
SCHEMBL6881441 0.81 BCHE (0.51) MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL2785504 0.81 CYSLTR2 (0.40) MEN1ALDH1A1LMNARECQLBLM
SCHEMBL4169952 0.80 APP (0.40) APPMAOBPKM
SCHEMBL6156388 0.80 ALOX5 (0.39) MAOBSMPD1
SCHEMBL6155616 0.79 ALOX5 (0.39) MEN1ALDH1A1LMNARECQLBLM
SCHEMBL6155134 0.78 APP (0.43) APP
SCHEMBL6155510 0.78 MAPK1 (0.39) MEN1ALDH1A1LMNARECQLBLM

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-1124779-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2005-02-02 EP disclosed
US-6689922-B1 BIAROMATIC COMPOUNDS WHICH ARE ANALOGUES OF VITAMIN D HAVE A MARKED ACTIVITY IN THE FIELDS OF CELL DIFFERENTIATION AND PROLIFERATION GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) 2004-02-10 US disclosed