SCHEMBL11845901

SCHEMBL11845901

CCCCC(OC(C)=O)C(C)S(=O)(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MMP13 P45452 5/20 0.49
MMP1 P03956 5/20 0.49
MMP7 P09237 4/20 0.49
MMP12 P39900 4/20 0.49
ACE P12821 3/20 0.49
MMP9 P14780 2/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38
CTSK P43235 3/20 0.38
CTSL P07711 2/20 0.38
CTSB P07858 2/20 0.38
CTSH P09668 2/20 0.38
ATM Q13315 1/20 0.38
MMP2 P08253 2/20 0.38
MMP3 P08254 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL11856816 0.81 MMP13 (0.45) LMNATSHRHSD17B10MMP13MMP1
SCHEMBL3919696 0.77 LMNA (0.48) LMNATSHRHSD17B10MMP13MMP1
SCHEMBL11851149 0.77 MMP13 (0.52) LMNATSHRHSD17B10MMP13MMP1
SCHEMBL11845811 0.75 MMP1 (0.41) LMNAMMP13MMP1MMP7MMP12
SCHEMBL27182979 0.75 MMP13 (0.57) MMP13MMP1MMP7MMP12ACE
SCHEMBL28842545 0.74 MMP13 (0.56) MMP13MMP1MMP7MMP12ACE
SCHEMBL6249985 0.73 ALDH1A1 (0.45) LMNAALDH1A1SMN1; SMN2POLBCTSK
SCHEMBL27698103 0.73 TSHR (0.56) LMNATSHRHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL2445638 0.73 MMP13 (0.54) TSHRMMP13MMP1MMP7MMP12
SCHEMBL10639322 0.72 ALDH1A1 (0.41) LMNATSHRHSD17B10MMP13MMP1

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
US-3979471-A Process for synthesizing ethylenic compounds AGENCE NATIONALE DE VALORISATION DE LA RECHERCHE (ANVAR) (FR) 1976-09-07 US disclosed