SCHEMBL30953736

SCHEMBL30953736

CC1(C)CCCC2(CC(=O)c3ccc(C(F)(F)F)cc3O2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
ATM Q13315 4/20 0.42
HTT P42858 2/20 0.42
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
HDAC3 O15379 3/20 0.35
HDAC4 P56524 3/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC7 Q8WUI4 3/20 0.35
HDAC2 Q92769 3/20 0.35
HDAC10 Q969S8 3/20 0.35
HDAC11 Q96DB2 3/20 0.35
HDAC8 Q9BY41 3/20 0.35
HDAC6 Q9UBN7 3/20 0.35
HDAC9 Q9UKV0 3/20 0.35
HDAC5 Q9UQL6 3/20 0.35
MAOB P27338 2/20 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
SCHEMBL30953777 0.88 KDM4E (0.50) KDM4EATMHTTALDH1A1L3MBTL1
SCHEMBL3593417 0.88 KDM4E (0.50) KDM4EATMHTTALDH1A1L3MBTL1
SCHEMBL30953576 0.86 KDM4E (0.54) KDM4EATMHTTALDH1A1L3MBTL1
SCHEMBL30953816 0.85 KDM4E (0.44) KDM4EATMHTTALDH1A1LMNA
SCHEMBL30953642 0.84 KDM4E (0.55) KDM4EATMHTTALDH1A1L3MBTL1
SCHEMBL11105631 0.84 KDM4E (0.55) KDM4EATMHTTALDH1A1L3MBTL1
SCHEMBL30953605 0.84 KDM4E (0.55) KDM4EATMHTTALDH1A1L3MBTL1
SCHEMBL1451122 0.79 ALDH1A1 (0.61) KDM4EHTTALDH1A1LMNACRHBP
SCHEMBL30953811 0.79 ALDH1A1 (0.61) KDM4EHTTALDH1A1LMNACRHBP
SCHEMBL3594528 0.78 RAF1 (0.46) KDM4EATMHTTALDH1A1LMNA

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-2024140431-A1 COMPOUNDS COMPRISING HETEROARYL RINGS AND COMPOSITIONS AND METHODS THEREOF IONGEN THERAPEUTICS CO., LTD. (CN) 2024-07-04 WO disclosed