SCHEMBL10419952

SCHEMBL10419952

Cc1ccc(S(=O)(=O)C(CCCCCCc2ccc(Cl)cc2)C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.56
MMP9 P14780 6/20 0.56
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
KCNH2 Q12809 1/20 0.47
HIF1A Q16665 1/20 0.47
KMT2A Q03164 3/20 0.47
CNR2 P34972 1/20 0.46
ALDH1A1 P00352 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
EGFR P00533 1/20 0.44
ERBB2 P04626 1/20 0.44
GAA P10253 2/20 0.44
MMP3 P08254 1/20 0.43
MMP13 P45452 1/20 0.43
MAPT P10636 2/20 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
SCHEMBL10419474 1.00 MMP2 (0.56) MMP2MMP9LMNAHTTCYP2D6
SCHEMBL865930 1.00 MMP2 (0.56) MMP2MMP9LMNAHTTCYP2D6
SCHEMBL10420484 1.00 MMP2 (0.56) MMP2MMP9LMNAHTTCYP2D6
SCHEMBL10419184 0.99 MMP2 (0.57) MMP2MMP9LMNAHTTCYP2D6
SCHEMBL10419216 0.95 MMP2 (0.59) MMP2MMP9LMNAHTTCYP2D6
SCHEMBL10420790 0.94 MMP2 (0.50) MMP2MMP9KMT2ACNR2ALDH1A1
SCHEMBL10419718 0.94 MMP2 (0.50) MMP2MMP9KMT2ACNR2ALDH1A1
SCHEMBL10419243 0.94 MMP2 (0.50) MMP2MMP9KMT2ACNR2ALDH1A1
SCHEMBL10419942 0.94 MMP2 (0.59) MMP2MMP9ALDH1A1GAAPPARA
SCHEMBL10420376 0.92 MMP2 (0.51) MMP2MMP9CYP2C9CYP2C19KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4933367-A Carboxylic acid derivatives, processes for the preparation thereof, the use thereof, and pharmaceutical compositions which contain these compounds BOEHRINGER MANNHEIM GMBH (DE) 1990-06-12 US disclosed
EP-0226636-A1 NEW CARBOXYLIC ACID DERIVATIVES, THEIR MANUFACTURING PROCESS, USE AND MEDICINES CONTAINING THESE COMPOUNDS. BOEHRINGER MANNHEIM GMBH (DE) 1987-07-01 EP disclosed
WO-1987000521-A2 NEW CARBOXYLIC ACID DERIVATIVES, THEIR MANUFACTURING PROCESS, USE AND MEDICINES CONTAINING THESE COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1987-01-29 WO disclosed