SCHEMBL24436719

SCHEMBL24436719

CC(=O)c1cc(O)cc(OC(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.55
AURKA O14965 1/20 0.49
TPX2 Q9ULW0 1/20 0.49
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA7 P43166 3/20 0.41
CA9 Q16790 3/20 0.41
CA14 Q9ULX7 3/20 0.41
LMNA P02545 1/20 0.39
MAOB P27338 2/20 0.38
TRPV1 Q8NER1 1/20 0.38
MRGPRX4 Q96LA9 2/20 0.38
WDR5 P61964 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
KAT6A Q92794 2/20 0.36
ESRRA P11474 1/20 0.36
ABL1 P00519 1/20 0.36
RXRA P19793 1/20 0.36
GRIN1 Q05586 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
SCHEMBL2096397 0.89 CA5A (0.41) CA5AAURKATPX2LMNAMAOB
SCHEMBL15516856 0.84 CA1 (0.63) AURKATPX2CA12CA1CA2
SCHEMBL29728998 0.84 AURKA (0.67) AURKATPX2CA12CA1CA2
SCHEMBL2567096 0.84 AURKA (0.67) AURKATPX2CA12CA1CA2
SCHEMBL13807338 0.83 TRPV1 (0.39) CA5AAURKATPX2MAOBTRPV1
SCHEMBL13807352 0.83 TRPV1 (0.46) CA5AAURKATPX2MAOBTRPV1
SCHEMBL14994237 0.82 MEN1 (0.45) LMNAWDR5ABL1
SCHEMBL14993764 0.82 PPARA (0.39) CA5AAURKATPX2LMNAMAOB
SCHEMBL17407187 0.82 SCN10A (0.39) CA5AAURKATPX2ADORA3ABL1
SCHEMBL29889840 0.81 AURKA (0.46) AURKATPX2CA12CA1CA2

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-20220157484-A1 POLYURETHANE, POLYURETHANE PRODUCTION METHOD, CONDUCTIVE PASTE COMPOSITION, CONDUCTIVE WIRE, AND METHOD FOR PRODUCING CONDUCTIVE WIRE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-05-19 US disclosed