SCHEMBL28386137

SCHEMBL28386137

CC(C)(Cc1ccc(CCO[Si](C)(C)C(C)(C)C)cn1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 5/20 0.53
CYP4A11 Q02928 5/20 0.53
PPARG P37231 5/20 0.41
PPARA Q07869 4/20 0.41
ALOX5AP P20292 7/20 0.36
ALOX5 P09917 2/20 0.35
CYP3A4 P08684 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
THPO P40225 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33

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
SCHEMBL22070698 0.88 CYP4F2 (0.42) CYP4F2CYP4A11PPARGPPARAMEN1
SCHEMBL6483485 0.81 CYP4F2 (0.34) CYP4F2CYP4A11
SCHEMBL30467053 0.80 CYP4F2 (0.34) CYP4F2CYP4A11PPARGPPARACYP3A4
SCHEMBL20301952 0.80 CYP4F2 (0.34) CYP4F2CYP4A11PPARGPPARACYP3A4
SCHEMBL26636791 0.78 ALDH1A1 (0.38) CYP4F2CYP4A11PPARGPPARACYP3A4
SCHEMBL30643687 0.76 RAB9A (0.38) KDM4EMEN1ALDH1A1LMNAMAPT
SCHEMBL31601511 0.76 PPARG (0.34) CYP4F2CYP4A11PPARGCYP3A4CYP1A2
SCHEMBL28386653 0.76 CYP4F2 (0.32) CYP4F2CYP4A11PPARGPPARACYP3A4
SCHEMBL23301466 0.75 CYP4F2 (0.37) CYP4F2CYP4A11CYP3A4KDM4EMEN1
SCHEMBL16433688 0.74 MAPK1 (0.47) CYP3A4KDM4EMEN1ALDH1A1LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110914254-A Azole-substituted pyridine compound 大正制药株式会社 2020-03-24 CN disclosed