SCHEMBL7115343

SCHEMBL7115343

CCC1(CC)COc2ccc(CCS(=O)(=O)O)cc21

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.34
MMP7 P09237 2/20 0.34
MMP8 P22894 2/20 0.34
MMP12 P39900 2/20 0.34
MMP13 P45452 2/20 0.34
BACE1 P56817 2/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
S1PR2 O95136 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
PARP1 P09874 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 1/20 0.30

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
SCHEMBL987764 0.84 PTGS1 (0.43) MMP1MMP7MMP8MMP12MMP13
SCHEMBL7115338 0.74 PTGS1 (0.32) PTGS1PTGS2
SCHEMBL14381986 0.64 EGFR (0.47) MMP12MMP13S1PR2S1PR1S1PR3
SCHEMBL5780794 0.64 PTGS2 (0.44) BACE1PTGS1PTGS2
SCHEMBL2887442 0.62 MMP1 (0.32) MMP1MMP7MMP8MMP12MMP13
SCHEMBL5782515 0.62 PTGS1 (0.45) BACE1PTGS1PTGS2
SCHEMBL7094740 0.62 ALOX15 (0.57) BACE1PTGS1
SCHEMBL9146666 0.61 CALM1 (0.49) MMP1MMP7MMP8MMP12MMP13
SCHEMBL5780245 0.61 RARB (0.42) BACE1PTGS1PTGS2
SCHEMBL28129221 0.61 PTGS1 (0.39) PTGS1PTGS2

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-1453377-A1 HERBICIDES BASED ON SUBSTITUTED CARBOXYLIC ACID ANILIDES Bayer CropScience AG (DE) 2004-09-08 EP claimed
WO-2003047346-A1 HERBICIDES BASED ON SUBSTITUTED CARBOXYLIC ACID ANILIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-06-12 WO claimed