SCHEMBL22790797

SCHEMBL22790797

Cc1c(OCc2ccccc2)ccc2c(=O)cc(C(F)(F)F)oc12

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 4/20 0.60
SLC26A3 P40879 4/20 0.52
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LOXL2 Q9Y4K0 1/20 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
SCHEMBL22787010 0.86 KDM4E (0.50) P2RY12SLC26A3KDM4EALDH1A1HPGD
SCHEMBL7316459 0.82 P2RY12 (0.61) P2RY12SLC26A3KDM4EALDH1A1HPGD
SCHEMBL7327157 0.82 P2RY12 (0.63) P2RY12SLC26A3KDM4EALDH1A1HPGD
SCHEMBL5723325 0.81 P2RY12 (0.62) P2RY12SLC26A3KDM4EALDH1A1HPGD
SCHEMBL7330143 0.80 P2RY12 (0.61) P2RY12SLC26A3KDM4EALDH1A1HPGD
SCHEMBL7316417 0.78 P2RY12 (0.59) P2RY12SLC26A3KDM4EALDH1A1HPGD
SCHEMBL22787011 0.78 KDM4E (0.42) P2RY12SLC26A3KDM4EALDH1A1HPGD
SCHEMBL8441390 0.77 KDM4E (0.63) P2RY12SLC26A3KDM4EALDH1A1HPGD
SCHEMBL7330070 0.76 P2RY12 (0.84) P2RY12
SCHEMBL7322128 0.76 P2RY12 (0.83) P2RY12

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
WO-2020252398-A1 PROTEOLYSIS-TARGETING PROTACS INDUCING DEGRADATION OF C-MIC PROTEIN NORTHWESTERN UNIVERSITY (US) 2020-12-17 WO disclosed