SCHEMBL11836766

SCHEMBL11836766

CC[S+]([O-])c1ccccc1-c1ccc(C(O)C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
MAPK1 P28482 1/20 0.45
PTGS2 P35354 3/20 0.36
FABP3 P05413 1/20 0.35
FABP4 P15090 1/20 0.35
FABP5 Q01469 1/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 2/20 0.34
KCNQ2 O43526 1/20 0.34
PPARG P37231 2/20 0.34
PPARA Q07869 2/20 0.34
PTGS1 P23219 3/20 0.33
MEN1 O00255 2/20 0.33
AKR1C3 P42330 2/20 0.33
AKR1C2 P52895 2/20 0.33
HIF1A Q16665 2/20 0.33
FABP2 P12104 1/20 0.33
TSHR P16473 1/20 0.33
AKR1C4 P17516 1/20 0.33
ADRA2B P18089 1/20 0.33

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
SCHEMBL11842799 0.85 LMNA (0.49) LMNAMAPK1PTGS2KMT2AMAPT
SCHEMBL11837715 0.84 ALDH1A1 (0.38) LMNAMAPK1MAPTPPARGPPARA
SCHEMBL11838020 0.79 LMNA (0.43) LMNAMAPK1PTGS2TSHRHPGD
SCHEMBL11843767 0.77 PPARA (0.53) LMNAMAPK1PTGS2FABP3FABP4
SCHEMBL11841738 0.73 LMNA (0.57) LMNAMAPK1PTGS2KMT2AMAPT
SCHEMBL11836770 0.73 PTGS2 (0.37) LMNAMAPK1PTGS2MAPTPPARG
SCHEMBL11847722 0.73 LMNA (0.52) LMNAMAPK1PTGS2KMT2AMAPT
SCHEMBL11844358 0.72 LMNA (0.47) LMNAMAPK1PTGS2FABP3FABP4
Mandelic Acid SCHEMBL281913 0.72 LMNA (0.78) LMNAMAPK1HPGDNAAA
SCHEMBL11838727 0.71 LMNA (0.59) LMNAMAPK1PTGS2KMT2AHIF1A

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