SCHEMBL11548879

SCHEMBL11548879

Cc1ccc(-c2coc3ccccc23)cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.48
MAOB P27338 2/20 0.44
PIN1 Q13526 1/20 0.43
GSK3B P49841 7/20 0.39
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
HTR7 P34969 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PTPN1 P18031 1/20 0.37
NQO1 P15559 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL8338813 0.80 PIN1 (0.46) MIFMAOBPIN1GSK3BNPC1
SCHEMBL19146915 0.79 KCNA3 (0.48) MIFMAOBPIN1GSK3BNPC1
SCHEMBL1310425 0.75 PIN1 (0.56) MIFMAOBPIN1NPC1POLB
SCHEMBL2490828 0.74 CHRM2 (0.50) MIFMAOBPIN1GSK3BCHRM2
SCHEMBL20777154 0.73 AHR (0.42) MIFMAOBGSK3BNPC1CHRM2
SCHEMBL27387935 0.73 ALOX5 (0.43) MAOBGSK3BHTR7HPGDKDM4E
SCHEMBL19180204 0.73 MIF (0.44) MIFMAOBPIN1NPC1POLB
SCHEMBL2247403 0.73 MIF (0.44) MIFMAOBPIN1GSK3BNPC1
SCHEMBL11465458 0.73 MAOB (0.46) MIFMAOBPIN1CHRM2CHRM4
SCHEMBL28212036 0.73 GSK3B (0.51) MIFMAOBPIN1GSK3BNPC1

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-4141990-A BACTERICIDES, FUNGICIDES RIKER LABORATORIES, INC. (US) 1979-02-27 US disclosed