SCHEMBL24445845

SCHEMBL24445845

COC(=O)c1c(O)cccc1C(F)(F)F

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.69
CA1 P00915 4/20 0.69
CA2 P00918 4/20 0.69
CA7 P43166 4/20 0.69
CA9 Q16790 4/20 0.69
CA14 Q9ULX7 4/20 0.69
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
NOTUM Q6P988 1/20 0.44
P4HB P07237 1/20 0.43
P2RX1 P51575 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
THRB P10828 1/20 0.42
HSP90AA1 P07900 1/20 0.39
HSP90B1 P14625 1/20 0.39
TXNRD1 Q16881 1/20 0.39
APP P05067 1/20 0.39
RBP4 P02753 1/20 0.39
CFTR P13569 1/20 0.39

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
SCHEMBL1994212 0.89 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL1519936 0.83 CA12 (1.00) CA12CA1CA2CA7CA9
SCHEMBL2720902 0.83 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL8570598 0.83 CFTR (0.49) CA12CA1CA2CA7CA9
SCHEMBL15568652 0.81 TYK2 (0.54) CA12CA1CA2CA7CA9
SCHEMBL13519060 0.80 THRB (0.63) CA12CA1CA2CA7CA9
SCHEMBL15332439 0.80 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL4467342 0.79 CA1 (0.44) CA12CA1CA2CA7CA9
SCHEMBL24277954 0.78 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL29951084 0.78 CA12 (0.43) CA12CA1CA2CA7CA9

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
EP-4001336-A1 POLYURETHANE, POLYURETHANE PRODUCTION METHOD, CONDUCTIVE PASTE COMPOSITION, CONDUCTIVE WIRE, AND METHOD FOR PRODUCING CONDUCTIVE WIRE Shin-Etsu Chemical Co., Ltd. (JP) 2022-05-25 EP disclosed