SCHEMBL11766705

SCHEMBL11766705

CC(C(=O)O)c1cccc2c(-c3ccccc3)cccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.49
PPARA Q07869 5/20 0.49
PTGS2 P35354 8/20 0.49
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
MMP12 P39900 1/20 0.48
MMP13 P45452 1/20 0.48
MMP14 P50281 1/20 0.48
MMP16 P51512 1/20 0.48
PTGS1 P23219 7/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
AKR1C3 P42330 2/20 0.46
AKR1C2 P52895 2/20 0.46
SLC22A6 Q4U2R8 2/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 2/20 0.46

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
SCHEMBL2393839 0.85 PTGS2 (0.56) PPARGPPARAPTGS2MMP1MMP2
Biphenyl SCHEMBL7876282 0.84 PTGS2 (0.58) PPARGPPARAPTGS2MMP1MMP2
SCHEMBL17491866 0.83 PTGS2 (0.50) PTGS2MMP1MMP2MMP9MMP8
SCHEMBL3840548 0.81 PTGS2 (0.47) PTGS2MMP1MMP2MMP9MMP8
SCHEMBL10781115 0.81 PTGS2 (0.53) PTGS2MMP1MMP2MMP9MMP8
SCHEMBL15641295 0.80 AKR1B1 (0.51) PPARGPPARAPTGS2PTGS1AKR1C3
SCHEMBL8120419 0.80 AKR1B1 (0.51) PPARGPPARAPTGS2PTGS1AKR1C3
SCHEMBL448107 0.80 AKR1B1 (0.51) PPARGPPARAPTGS2PTGS1AKR1C3
SCHEMBL8479916 0.80 PTGS2 (0.58) PPARGPPARAPTGS2MMP1MMP2
SCHEMBL20520340 0.79 PPARG (0.49) PPARGPPARAKMT2AMAPTAKR1C3

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-4011332-A RODENTICIDE BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DT) 1977-03-08 US disclosed