SCHEMBL29004331

SCHEMBL29004331

Cc1cc(C)cc(OC(=O)c2ccc(C(=O)O)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.56
RXRB P28702 1/20 0.56
KMT2A Q03164 6/20 0.54
MEN1 O00255 2/20 0.54
TPMT P51580 1/20 0.52
ALDH1A1 P00352 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
SRD5A2 P31213 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
MAPT P10636 4/20 0.45
THRB P10828 1/20 0.45
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PRSS1 P07477 1/20 0.44
ACR P10323 1/20 0.44
PARP10 Q53GL7 1/20 0.43

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
SCHEMBL29004329 0.92 KMT2A (0.61) KMT2AMEN1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL27664158 0.89 KMT2A (0.61) KMT2AMEN1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL28852306 0.87 KMT2A (0.58) KMT2AMEN1ALDH1A1CYP1A2CYP2C9
SCHEMBL10093730 0.85 KMT2A (0.61) KMT2AMEN1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL7368072 0.84 TPMT (0.52) KMT2AMEN1TPMTALDH1A1CYP1A2
SCHEMBL25438849 0.83 ALDH1A1 (0.65) KMT2AMEN1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL11312410 0.83 ALDH1A1 (0.65) KMT2AMEN1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL9339411 0.83 KMT2A (0.58) KMT2AMEN1ALDH1A1CYP1A2CYP2C9
SCHEMBL11199506 0.82 TP53 (0.50) RXRAKMT2AMEN1CYP1A2CYP2C9
SCHEMBL11276120 0.82 TP53 (0.50) RXRAKMT2AMEN1CYP1A2CYP2C9

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