SCHEMBL11840980

SCHEMBL11840980

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.39
LMNA P02545 2/20 0.37
MAPK1 P28482 1/20 0.37
MMP2 P08253 3/20 0.37
MMP13 P45452 3/20 0.37
MMP1 P03956 2/20 0.37
MMP9 P14780 2/20 0.37
MMP8 P22894 1/20 0.37
MMP12 P39900 1/20 0.37
MMP14 P50281 1/20 0.37
MMP16 P51512 1/20 0.37
CYP1A2 P05177 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
PKM P14618 1/20 0.36
CYP2C19 P33261 1/20 0.36
ADAMTS4 O75173 2/20 0.36
FFAR1 O14842 1/20 0.36
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL11836770 0.85 PTGS2 (0.37) PTGS2LMNAMAPK1MMP2MMP13
SCHEMBL11840724 0.84 PTGS2 (0.38) PTGS2LMNAMMP2MMP13MMP1
SCHEMBL11841177 0.82 MGLL (0.41) MMP2MMP1MMP12MCL1
SCHEMBL15577018 0.80 RXRA (0.35) PTGS2
SCHEMBL11841735 0.76 PPARG (0.47) PTGS2LMNAMAPK1CYP1A2GAA
SCHEMBL10192324 0.75 MMP1 (0.32) PTGS2LMNAMMP2MMP13MMP1
SCHEMBL10247815 0.75 TSHR (0.39) PTGS2CYP1A2ADAMTS4FFAR1MAPT
SCHEMBL11839204 0.74 ACMSD (0.53) PTGS2LMNAMAPK1GAAMAPT
SCHEMBL11834761 0.74 LMNA (0.44) PTGS2LMNAMAPK1CYP1A2GAA
SCHEMBL11841217 0.73 CRHBP (0.44) PTGS2LMNAMAPK1CYP1A2GAA

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