SCHEMBL24983697

SCHEMBL24983697

COC(=O)c1cc(O)c(O)cc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 6/20 0.51
NOTUM Q6P988 2/20 0.46
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA7 P43166 3/20 0.46
CA9 Q16790 3/20 0.46
CA14 Q9ULX7 3/20 0.46
PDK2 Q15119 1/20 0.46
PDK4 Q16654 1/20 0.46
LMNA P02545 2/20 0.44
TSHR P16473 1/20 0.44
GAA P10253 2/20 0.43
XDH P47989 2/20 0.43
MAPT P10636 1/20 0.43
SOS1 Q07889 1/20 0.42
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
NFKB1 P19838 1/20 0.41
GFER P55789 1/20 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
SCHEMBL23768065 0.88 CFTR (0.48) CFTRNOTUMCA12CA1CA2
SCHEMBL2242947 0.86 CFTR (0.57) CFTRNOTUMCA12CA1CA2
SCHEMBL8037239 0.86 CFTR (0.47) CFTRNOTUMCA12CA1CA2
SCHEMBL23754415 0.86 CFTR (0.61) CFTRNOTUMCA12CA1CA2
SCHEMBL23754117 0.82 GAA (0.46) CFTRNOTUMCA12CA1CA2
SCHEMBL2242413 0.81 PDGFRB (0.45) CFTRNOTUMLMNATSHRGAA
SCHEMBL27661998 0.81 CFTR (0.51) CFTRLMNATSHRGAAMAPT
SCHEMBL15920408 0.80 CFTR (0.57) CFTRNOTUMCA12CA1CA2
SCHEMBL22453008 0.80 CFTR (0.67) CFTRNOTUMTSHRGAAMAPT
SCHEMBL24515867 0.80 APP (0.48) CFTRNOTUMCA12CA1CA2

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-2023288020-A1 COMPOSITIONS AND METHODS FOR ANTIOXIDANT AND ANTI-INFLAMMATORY THERAPEUTICS AVANTI BIOSCIENCES INC. (US) 2023-01-19 WO disclosed