SCHEMBL29951652

SCHEMBL29951652

CC(C)(C)OC(=O)Nc1cc(F)ccc1C=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNQ4 P56696 3/20 0.43
KCNQ5 Q9NR82 3/20 0.43
CYP17A1 P05093 2/20 0.40
RXFP1 Q9HBX9 1/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
MAP4K4 O95819 1/20 0.37
BRAF P15056 1/20 0.37
POLB P06746 2/20 0.36
LMNA P02545 1/20 0.36
BRD4 O60885 1/20 0.36
GRM2 Q14416 1/20 0.36
RORC P51449 2/20 0.36
ATR Q13535 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 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
SCHEMBL29954656 0.90 KCNQ4 (0.46) KCNQ4KCNQ5CYP17A1RXFP1CA12
SCHEMBL29950861 0.85 HPGD (0.46) RXFP1CA12CA1CA9MAP4K4
SCHEMBL29952152 0.84 CYP17A1 (0.42) KCNQ4KCNQ5CYP17A1RXFP1CA12
SCHEMBL29953129 0.83 RXFP1 (0.51) RXFP1POLBLMNAMAPT
SCHEMBL29407156 0.83 RAB9A (0.45) CA12CA1CA9RAB9A
SCHEMBL29950591 0.83 HSP90AA1 (0.43) ATRMAPT
SCHEMBL15614546 0.82 MAPT (0.51) KCNQ4KCNQ5CYP17A1RXFP1BRAF
SCHEMBL29956858 0.82 TRIM24 (0.49) BRAFPOLBLMNAMAPTRAB9A
SCHEMBL27060303 0.81 KCNQ3 (0.43) RXFP1BRAFPOLBLMNAATR
SCHEMBL30227212 0.81 GRIK1 (0.48) KCNQ4KCNQ5CYP17A1RXFP1

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed