SCHEMBL9846603

SCHEMBL9846603

CC1=CC(c2ccccc2)(c2ccccc2)C(=O)O1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MAPT P10636 3/20 0.33
KMT2A Q03164 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 2/20 0.33
POLB P06746 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
GAA P10253 1/20 0.33
REN P00797 1/20 0.33
APP P05067 1/20 0.33
BACE1 P56817 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
CFTR P13569 1/20 0.32
GOPC Q9HD26 1/20 0.32
CYP2C9 P11712 4/20 0.32
CYP1A2 P05177 3/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C19 P33261 2/20 0.32

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
SCHEMBL7674692 0.72 MAOB (0.33) MAPTKMT2ARAB9AMEN1GAA
SCHEMBL9772859 0.72 GAA (0.37) MAPTKMT2ARAB9APOLBGPR55
SCHEMBL9846576 0.72 EGFR (0.32) MAPTRAB9AGAARENAPP
SCHEMBL4394813 0.70 SLC6A2 (0.34) KMT2AMEN1POLBGAABACE1
SCHEMBL11469864 0.64 CFTR (0.39) MMP2MMP9MAPTKMT2ARAB9A
SCHEMBL6827479 0.64 BACE1 (0.43) MMP2MMP9KMT2ARENAPP
SCHEMBL7662936 0.63 MMP2 (0.37) MMP2MMP9KMT2APOLBGPR55
SCHEMBL28548234 0.63 HCAR2 (0.53) MMP2MMP9CFTRGOPCCYP1A2
SCHEMBL4397735 0.63 CFTR (0.34) MMP2MMP9MAPTKMT2ARAB9A
SCHEMBL7635908 0.61 CFTR (0.56) MMP2MMP9MAPTKMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0455909-A2 5-[1-(Imidazol)methyl]-3,3-disubstituted-2(3H) furanone derivatives MARION MERRELL DOW INC. (US) 1991-11-13 EP disclosed
US-5039691-A Anticholinergic agents MARION MERRELL DOW INC. (US) 1991-08-13 US disclosed