SCHEMBL28694686

SCHEMBL28694686

O=C(O)c1cc(-c2ccccc2)ccc1-c1cccc(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCLRE1B Q9H816 1/20 0.56
ACMSD Q8TDX5 3/20 0.54
HNF4A P41235 2/20 0.53
DHFR P00374 1/20 0.53
MCL1 Q07820 1/20 0.53
ACLY P53396 3/20 0.51
SERPINE1 P05121 2/20 0.51
HCAR2 Q8TDS4 1/20 0.51
EIF4E P06730 1/20 0.51
MAP4K4 O95819 1/20 0.49
AKR1C2 P52895 1/20 0.49
AKR1C1 Q04828 1/20 0.49
PARP10 Q53GL7 1/20 0.48
PARP11 Q9NR21 1/20 0.48
TDP2 O95551 1/20 0.48
PGR P06401 1/20 0.48
SUCNR1 Q9BXA5 1/20 0.47
GRIK1 P39086 1/20 0.47
PDK2 Q15119 1/20 0.47
KMO O15229 1/20 0.47

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
SCHEMBL269867 0.85 HNF4A (0.53) DCLRE1BHNF4AMCL1SERPINE1HCAR2
SCHEMBL593979 0.84 ACMSD (0.66) DCLRE1BACMSDHNF4ADHFRMCL1
SCHEMBL4280740 0.83 FOLH1 (0.59) HNF4ASERPINE1EIF4EAKR1C2AKR1C1
SCHEMBL21879680 0.82 ACMSD (0.68) DCLRE1BACMSDHNF4ADHFRMCL1
SCHEMBL15936129 0.81 ALDH1A1 (0.63) DCLRE1BACMSDHNF4ADHFRMCL1
SCHEMBL2892457 0.79 ACMSD (0.59) DCLRE1BACMSDHNF4ADHFRMCL1
SCHEMBL10024258 0.79 DCLRE1B (0.57) DCLRE1BACMSDHNF4ADHFRMCL1
SCHEMBL16394095 0.78 TAAR1 (0.65) DCLRE1BPGR
SCHEMBL2040947 0.78 RXRA (0.69) DCLRE1BMAP4K4KMO
SCHEMBL5487096 0.78 ACMSD (0.61) DCLRE1BACMSDHNF4ADHFRMCL1

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
CN-114105955-A Fluorospirotriphenylamine derivative compound and preparation method and application thereof 广东工业大学 2022-03-01 CN disclosed