SCHEMBL29951306

SCHEMBL29951306

CC(C)(C)OC(=O)Nc1ccc(F)cc1B(O)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNQ4 P56696 3/20 0.46
KCNQ5 Q9NR82 3/20 0.46
LIPE Q05469 1/20 0.44
CYP17A1 P05093 1/20 0.43
RXFP1 Q9HBX9 1/20 0.40
HTT P42858 1/20 0.38
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
BRD9 Q9H8M2 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHRM3 P20309 2/20 0.35
RORC P51449 1/20 0.35

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
SCHEMBL3781384 0.84 CA12 (0.47) CYP17A1RXFP1GAA
SCHEMBL857284 0.83 HTT (0.55) KCNQ4KCNQ5CYP17A1HTTLMNA
SCHEMBL29954656 0.82 KCNQ4 (0.46) KCNQ4KCNQ5CYP17A1RXFP1HTT
SCHEMBL31408779 0.82 NR1H2 (0.39) KCNQ4KCNQ5CYP17A1RXFP1BRD9
SCHEMBL5800267 0.82 KCNQ4 (0.51) KCNQ4KCNQ5CYP17A1RXFP1HTT
SCHEMBL8292291 0.82 KCNQ4 (0.48) KCNQ4KCNQ5CYP17A1HTTLMNA
SCHEMBL8574647 0.81 NR1I2 (0.42) POLB
SCHEMBL22092641 0.81 KCNQ4 (0.47) KCNQ4KCNQ5CYP17A1RXFP1HTT
SCHEMBL197145 0.81 HDAC1 (0.55) KCNQ4KCNQ5CYP17A1HTT
SCHEMBL29581478 0.81 HDAC1 (0.55) KCNQ4KCNQ5CYP17A1HTT

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