SCHEMBL8773918

SCHEMBL8773918

CC=CC(O)c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ATM Q13315 1/20 0.52
AOC3 Q16853 1/20 0.40
IDO1 P14902 2/20 0.35
TDO2 P48775 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
APEX1 P27695 1/20 0.34

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
SCHEMBL31303664 0.80 ATM (0.53) MEN1KMT2AATMALOX15TSHR
SCHEMBL4121057 0.79 AOC3 (0.38) MEN1KMT2AATMAOC3IDO1
SCHEMBL11981277 0.79 AOC3 (0.38) MEN1KMT2AATMAOC3IDO1
SCHEMBL4121060 0.79 AOC3 (0.38) MEN1KMT2AATMAOC3IDO1
SCHEMBL29059960 0.78 AOC3 (0.36) MEN1KMT2AATMAOC3IDO1
SCHEMBL9663717 0.78 TSHR (0.55) MEN1KMT2AATMAOC3IDO1
SCHEMBL2091742 0.78 TSHR (0.55) MEN1KMT2AATMAOC3IDO1
SCHEMBL28646384 0.78 AOC3 (0.36) MEN1KMT2AATMAOC3IDO1
SCHEMBL95469 0.77 MEN1 (0.60) MEN1KMT2AATMALOX15TSHR
SCHEMBL22616865 0.77 MEN1 (0.60) MEN1KMT2AATMALOX15TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114426564-B Chiral ferrocene phosphine-1, 2-diphenyl ethylenediamine ligand and preparation method and application thereof 中国科学院大连化学物理研究所 2023-09-08 CN disclosed
CN-114426564-A Chiral ferrocenyl phosphine-1, 2-diphenyl ethylene diamine ligand and preparation method and application thereof 中国科学院大连化学物理研究所 2022-05-03 CN disclosed
EP-0804423-A1 INSECTICIDAL AND ACARICIDAL OXAZOLINES AND THIAZOLINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-11-05 EP disclosed
WO-1996022283-A1 INSECTICIDAL AND ACARICIDAL OXAZOLINES AND THIAZOLINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-07-25 WO disclosed