SCHEMBL29004336

SCHEMBL29004336

CC(C)(C)c1ccc(OC(=O)c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.78
▸ TDP1 Q9NUW8 1/20 0.78
▸ L3MBTL1 Q9Y468 1/20 0.78
▸ PRSS1 P07477 1/20 0.64
▸ ACR P10323 1/20 0.64
▸ SRD5A2 P31213 1/20 0.62
▸ NR4A2 P43354 1/20 0.60
▸ RXRA P19793 1/20 0.60
▸ RXRB P28702 1/20 0.60
▸ ALDH1A1 P00352 1/20 0.57
▸ THRB P10828 1/20 0.57
▸ MEN1 O00255 3/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ RARB P10826 1/20 0.57
▸ RARG P13631 1/20 0.57
▸ NR1H4 Q96RI1 3/20 0.54
▸ EPHX2 P34913 2/20 0.54
▸ NPSR1 Q6W5P4 3/20 0.51
▸ HSD17B10 Q99714 1/20 0.50

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
SCHEMBL2396251 0.93 MAPT (0.83) MAPTTDP1L3MBTL1PRSS1ACR
SCHEMBL14062435 0.93 MAPT (0.83) MAPTTDP1L3MBTL1PRSS1ACR
SCHEMBL1790578 0.88 MAPT (0.87) MAPTTDP1L3MBTL1PRSS1ACR
SCHEMBL2395069 0.88 MAPT (0.75) MAPTTDP1L3MBTL1PRSS1ACR
SCHEMBL14062417 0.88 MAPT (0.75) MAPTTDP1L3MBTL1PRSS1ACR
SCHEMBL8210174 0.88 MAPT (1.00) MAPTTDP1L3MBTL1PRSS1ACR
SCHEMBL14062466 0.88 MAPT (0.75) MAPTTDP1L3MBTL1PRSS1ACR
SCHEMBL21266478 0.86 MAPT (0.73) MAPTTDP1L3MBTL1PRSS1ACR
SCHEMBL16775315 0.86 MAPT (0.73) MAPTTDP1L3MBTL1PRSS1ACR
SCHEMBL4328066 0.86 MAPT (0.73) MAPTTDP1L3MBTL1PRSS1ACR

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-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
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