SCHEMBL9079706

SCHEMBL9079706

COc1ccc(CC(C)(S)C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.54
HTT P42858 1/20 0.46
MMP1 P03956 3/20 0.46
MMP13 P45452 3/20 0.46
IDO1 P14902 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CTBP2 P56545 1/20 0.45
F2RL1 P55085 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MMP9 P14780 2/20 0.44
CALM1 P0DP23 1/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43

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
SCHEMBL28136422 0.82 LDHA (0.53) LDHAHTTMMP1MMP13NPC1
SCHEMBL3801397 0.82 LDHA (0.53) LDHAHTTMMP1MMP13NPC1
SCHEMBL3739737 0.81 LDHA (0.51) LDHAHTTMMP1MMP13NPC1
SCHEMBL4413232 0.81 LDHA (0.51) LDHAHTTMMP1MMP13NPC1
SCHEMBL28246723 0.81 LDHA (0.51) LDHAHTTMMP1MMP13NPC1
SCHEMBL7676911 0.81 LDHA (0.51) LDHAHTTMMP1MMP13NPC1
SCHEMBL7716562 0.80 BLM (0.44) IDO1NPC1RAB9APOLBSMN1; SMN2
SCHEMBL5208103 0.80 LDHA (0.55) LDHAHTTNPC1RAB9APOLB
SCHEMBL3342965 0.80 SMN1; SMN2 (0.53) SMN1; SMN2PPARGPPARA
SCHEMBL1424653 0.79 BLM (0.67) LDHAHTTMMP1MMP13NPC1

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-0710243-A1 IMPROVED SYNTHESIS OF CYCLIC PEPTIDES FERRING B.V. (NL) 1996-05-08 EP disclosed
WO-1995001368-A1 IMPROVED SYNTHESIS OF CYCLIC PEPTIDES FERRING B.V. (NL) 1995-01-12 WO disclosed