SCHEMBL9541876

SCHEMBL9541876

CC(C)(C)ONC(=O)c1cc(F)c(C(=O)O)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 2/20 0.40
RARG P13631 2/20 0.40
RARB P10826 1/20 0.40
HDAC6 Q9UBN7 6/20 0.39
HDAC1 Q13547 5/20 0.39
EPHX2 P34913 2/20 0.36
NR1H4 Q96RI1 2/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
EGFR P00533 1/20 0.33
GLRA3 O75311 1/20 0.33
GLRB P48167 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32

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
SCHEMBL9543676 0.86 MAPT (0.38) HDAC6HDAC1LMNAMAPK1RAB9A
SCHEMBL499248 0.81 CYP1A2 (0.39) LMNAMAPK1EGFRALDH1A1
SCHEMBL9541842 0.81 HCAR1 (0.44) HDAC6HDAC1RAB9AHDAC3HDAC4
SCHEMBL9542523 0.80 SLC6A3 (0.45) HDAC6HDAC1HTTRAB9AEGFR
SCHEMBL29781353 0.79 CHRNA1 (0.49) HDAC6HDAC1RAB9AALDH1A1CHRNA1
SCHEMBL9541142 0.76 SCN9A (0.35) HDAC6HDAC1LMNARAB9AHDAC3
SCHEMBL29055361 0.75 HDAC6 (0.46) RARARARGRARBHDAC6HDAC1
SCHEMBL21956939 0.75 LMNA (0.39) RARARARGRARBEPHX2NR1H4
SCHEMBL6119612 0.74 SRD5A2 (0.48) RARGRARBEPHX2NR1H4ALDH1A1
SCHEMBL14060389 0.72 KDM4E (0.53) LMNAMAPK1HTTRAB9AALDH1A1

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-1993014063-A1 FUNGICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-07-22 WO disclosed