SCHEMBL29033737

SCHEMBL29033737

CCCCC(C(=O)O)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 12/20 0.57
MMP2 P08253 9/20 0.57
MMP13 P45452 7/20 0.52
MMP3 P08254 1/20 0.51
MMP1 P03956 4/20 0.47
ADAM17 P78536 2/20 0.47
MMP7 P09237 3/20 0.45
MMP12 P39900 3/20 0.45
ACE P12821 2/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
ALB P02768 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA2 P00918 2/20 0.43
PTGES O14684 1/20 0.42
ALOX5 P09917 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42

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
SCHEMBL10419177 0.94 MMP9 (0.55) MMP9MMP2MMP13MMP3MMP1
SCHEMBL10420827 0.94 MMP9 (0.55) MMP9MMP2MMP13MMP3MMP1
SCHEMBL10420120 0.94 MMP9 (0.55) MMP9MMP2MMP13MMP3MMP1
SCHEMBL10420675 0.94 MMP9 (0.55) MMP9MMP2MMP13MMP3MMP1
SCHEMBL7825144 0.94 MMP9 (0.55) MMP9MMP2MMP13MMP3MMP1
SCHEMBL27182979 0.87 MMP13 (0.57) MMP9MMP2MMP13MMP3MMP1
SCHEMBL6933212 0.84 MMP13 (0.74) MMP9MMP2MMP13MMP3MMP1
SCHEMBL10420376 0.84 MMP2 (0.51) MMP9MMP2MMP13MMP3MMP1
SCHEMBL9570487 0.83 MMP2 (0.52) MMP9MMP2MMP13MMP3MMP1
SCHEMBL10419243 0.82 MMP2 (0.50) MMP9MMP2MMP13MMP3MMP1

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-116445230-A Desalting and salt-preventing cleaning agent for aircraft surface and cleaning method 天津普罗米新材料有限公司 2023-07-18 CN disclosed