SCHEMBL29112285

SCHEMBL29112285

C=Cc1ccccc1CCOC(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
THRB P10828 2/20 0.37
TYR P14679 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 1/20 0.37
PKM P14618 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 2/20 0.35
CYP3A4 P08684 2/20 0.34
HCAR2 Q8TDS4 1/20 0.34
AKR1B10 O60218 2/20 0.34
AKR1B1 P15121 2/20 0.34
ALOX5 P09917 3/20 0.33
ALDH1A1 P00352 3/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
TP53 P04637 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
SCHEMBL8376754 0.84 RAD52 (0.41) THRBTYRCYP3A4HCAR2AKR1B10
SCHEMBL27981237 0.81 TDP1 (0.53) LMNATYRSMN1; SMN2CYP1A2ALDH1A1
SCHEMBL28040122 0.79 AKR1B10 (0.44) THRBSMN1; SMN2KDM4EHCAR2AKR1B10
SCHEMBL2404989 0.77 ALDH1A1 (0.40) THRBSMN1; SMN2ALDH1A1TSHRHPGD
SCHEMBL13873296 0.76 LMNA (0.51) LMNATYRSMN1; SMN2CYP1A2CYP2D6
SCHEMBL21596736 0.76 LMNA (0.51) LMNATYRSMN1; SMN2CYP1A2CYP2D6
SCHEMBL28561113 0.76 TYR (0.59) LMNATYRSMN1; SMN2CYP1A2CYP2D6
SCHEMBL11688548 0.76 ALDH1A1 (0.40) LMNASMN1; SMN2CYP1A2KDM4EALDH1A1
SCHEMBL28342445 0.75 LMNA (0.41) LMNANPSR1KDM4EALDH1A1RAB9A
SCHEMBL2548713 0.75 TAAR1 (0.50) LMNATYRSMN1; SMN2CYP1A2CYP2D6

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-116829532-A Substituted cyclohexane carboxamides, their preparation and their therapeutic use 赛诺菲 2023-09-29 CN disclosed