SCHEMBL11836770

SCHEMBL11836770

CC[S+]([O-])c1cc(-c2ccccc2)ccc1C(O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 2/20 0.36
FFAR1 O14842 1/20 0.36
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
HPGD P15428 2/20 0.35
BCL2 P10415 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP12 P39900 1/20 0.35
MMP13 P45452 1/20 0.35
MMP14 P50281 1/20 0.35
MMP16 P51512 1/20 0.35
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
LMNA P02545 2/20 0.34

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
SCHEMBL11840980 0.85 PTGS2 (0.39) PTGS2SMN1; SMN2MAPTFFAR1MMP1
SCHEMBL11848052 0.84 MGLL (0.40) PTGS2FFAR1BCL2ALDH1A1
SCHEMBL11841735 0.73 PPARG (0.47) PTGS2SMN1; SMN2MAPTFFAR1PPARG
SCHEMBL11836766 0.73 LMNA (0.45) PTGS2MAPTHPGDPPARGPPARA
SCHEMBL11837440 0.72 MMP2 (0.42) PTGS2SMN1; SMN2L3MBTL1MAPTFFAR1
SCHEMBL11834761 0.71 LMNA (0.44) PTGS2SMN1; SMN2L3MBTL1MAPTFFAR1
SCHEMBL11839204 0.71 ACMSD (0.53) PTGS2MAPTHPGDLMNAMAPK1
SCHEMBL11848220 0.71 ACLY (0.46) PTGS2SMN1; SMN2L3MBTL1MAPTFFAR1
SCHEMBL11841177 0.71 MGLL (0.41) MMP1MMP2MMP12PPARGPPARA
SCHEMBL11835779 0.70 SLC1A3 (0.47) SMN1; SMN2L3MBTL1MAPTHPGDLMNA

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-3941821-A ANTIINFLAMMATORY, ANALGESICS, ANTIPYRETICS WILLIAM H. RORER, INC. (US) 1976-03-02 US disclosed