SCHEMBL11852166

SCHEMBL11852166

N#Cc1ccc(-c2ccc(C(O)C(=O)O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
MAPK1 P28482 1/20 0.50
MMP13 P45452 3/20 0.49
MMP12 P39900 1/20 0.49
MMP3 P08254 3/20 0.48
MMP2 P08253 3/20 0.46
MMP1 P03956 2/20 0.46
MMP7 P09237 2/20 0.46
MMP9 P14780 2/20 0.46
HDAC2 Q92769 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
GSK3B P49841 1/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
GRIA2 P42262 2/20 0.41

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
SCHEMBL8975203 0.94 LMNA (0.56) LMNAMAPK1MMP13MMP12KDM4E
SCHEMBL2563661 0.94 LMNA (0.56) LMNAMAPK1MMP13MMP12KDM4E
SCHEMBL11835291 0.80 MMP3 (0.47) MMP13MMP12MMP3MMP2MMP1
SCHEMBL8993579 0.78 LMNA (0.74) LMNAMAPK1GAAMAPT
SCHEMBL7564021 0.78 LMNA (0.74) LMNAMAPK1GAAMAPT
SCHEMBL7564005 0.78 LMNA (0.74) LMNAMAPK1GAAMAPT
SCHEMBL9251054 0.77 MMP2 (0.46) MMP13MMP12MMP3MMP2MMP1
SCHEMBL19002291 0.77 GSK3B (0.44) KDM4EGAAMAPTL3MBTL1CA1
SCHEMBL275597 0.77 LMNA (0.79) LMNAMAPK1L3MBTL1
SCHEMBL29001006 0.76 HPGD (0.44) MMP13MMP12MMP2KDM4EGAA

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