SCHEMBL29898488

SCHEMBL29898488

Cc1cc(C)cc(-c2cc(C(=O)O)c(-c3cc(C)cc(C)c3)cc2C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.50
RXRB P28702 2/20 0.50
TPMT P51580 1/20 0.50
KDM4E B2RXH2 2/20 0.45
CNR2 P34972 1/20 0.43
CSNK2A1 P68400 1/20 0.42
FTO Q9C0B1 1/20 0.41
MCL1 Q07820 1/20 0.41
PTGS2 P35354 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TTR P02766 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.39
IP6K1 Q92551 1/20 0.39
IP6K3 Q96PC2 1/20 0.39
IP6K2 Q9UHH9 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HCAR1 Q9BXC0 1/20 0.39

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
SCHEMBL592872 0.90 KDM4E (0.46) RXRARXRBTPMTKDM4ECNR2
SCHEMBL11491969 0.84 HDAC7 (0.51) RXRARXRBTPMTKDM4ECSNK2A1
SCHEMBL29004334 0.81 RXRA (0.59) RXRARXRBTPMTKDM4ECNR2
SCHEMBL30832923 0.80 MCL1 (0.58) RXRARXRBKDM4ECSNK2A1MCL1
SCHEMBL10911513 0.79 MYC (0.55) RXRARXRBKDM4EFTOMCL1
SCHEMBL27846866 0.78 RXRA (0.43) RXRARXRBTPMTKDM4ECNR2
SCHEMBL28201887 0.77 RXRA (0.55) RXRARXRBTPMTKDM4ECNR2
SCHEMBL28080578 0.74 DHODH (0.42) TPMTKDM4ETDP1TTRALDH1A1
SCHEMBL630056 0.74 ALDH1A1 (0.54) MEN1KMT2ATDP1ALDH1A1SMN1; SMN2
SCHEMBL1186870 0.74 MYC (0.49) RXRARXRBKDM4EFTOMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114956976-B Indenofluorene-6, 12-dione derivative and synthetic method and application thereof 商丘师范学院 2024-10-15 CN disclosed
CN-114956976-A Novel indenofluorene-6, 12-diketone derivative and synthetic method and application thereof 商丘师范学院 2022-08-30 CN disclosed