SCHEMBL8932430

SCHEMBL8932430

COc1ccc(CSC2CNC(=O)N(C(=O)OC(C)(C)C)C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 4/20 0.39
KDM1A O60341 1/20 0.39
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
DPP4 P27487 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
MMP1 P03956 3/20 0.36
MMP13 P45452 2/20 0.36
STS P08842 1/20 0.36
MMP9 P14780 2/20 0.36
HTT P42858 1/20 0.36
MMP3 P08254 1/20 0.36
MMP7 P09237 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
CTSD P07339 1/20 0.36
CTSE P14091 1/20 0.36

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
SCHEMBL8932507 0.83 ALDH1A1 (0.39) ALDH1A1KDM1ALMNAMAPTSMN1; SMN2
SCHEMBL8932468 0.81 ALDH1A1 (0.39) HSD17B10ALDH1A1LMNAMAPTHPGD
SCHEMBL27362692 0.80 ALDH1A1 (0.56) ALDH1A1KDM1ALMNAMAPTSMN1; SMN2
SCHEMBL9479861 0.80 ALDH1A1 (0.56) ALDH1A1KDM1ALMNAMAPTSMN1; SMN2
SCHEMBL9414488 0.80 ALDH1A1 (0.56) ALDH1A1KDM1ALMNAMAPTSMN1; SMN2
SCHEMBL9202656 0.75 TSHR (0.46) ALDH1A1LMNAMAPTMMP13
SCHEMBL8932546 0.74 CRBN (0.44) HSD17B10LMNAMMP13
SCHEMBL5405039 0.74 HTRA1 (0.44) ALDH1A1KDM1ALMNAMAPTSMN1; SMN2
SCHEMBL7177077 0.74 HTRA1 (0.44) ALDH1A1KDM1ALMNAMAPTSMN1; SMN2
SCHEMBL5412651 0.74 DPP4 (0.41) ALDH1A1KDM1ALMNAMAPTSMN1; SMN2

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
WO-1996026939-A1 CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-06 WO disclosed