SCHEMBL12680819

SCHEMBL12680819

O=C1CC(=O)c2ccc3c4ccc5c6c(ccc(c7ccc1c2c73)c64)C(=O)OC5=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 5/20 0.43
▸ ALOX15 P16050 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ BCL2 P10415 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HSD17B10 Q99714 2/20 0.34
▸ HIF1A Q16665 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ TERT O14746 3/20 0.33
▸ MAPT P10636 2/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ STAT3 P40763 1/20 0.30
▸ RECQL P46063 1/20 0.30
▸ MCL1 Q07820 1/20 0.30

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
SCHEMBL13187092 0.92 TYMS (0.48) TYMSALOX15TDP1ALDH1A1KDM4E
SCHEMBL269290 0.87 BCL2 (0.45) BCL2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL14117946 0.87 BCL2 (0.45) BCL2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL14117945 0.87 BCL2 (0.45) BCL2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL31185814 0.87 TYMS (0.52) TYMSALOX15TDP1BCL2ALDH1A1
SCHEMBL13009255 0.87 TYMS (0.52) TYMSALOX15TDP1BCL2ALDH1A1
SCHEMBL29349446 0.87 TYMS (0.52) TYMSALOX15TDP1BCL2ALDH1A1
SCHEMBL36626 0.87 TYMS (0.52) TYMSALOX15TDP1BCL2ALDH1A1
SCHEMBL30606666 0.87 TYMS (0.52) TYMSALOX15TDP1BCL2ALDH1A1
SCHEMBL24080675 0.81 TYMS (0.58) TYMSALOX15TDP1ALDH1A1KDM4E

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
US-9846345-B2 Colored pigment particles for electrophoretic displays EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2017-12-19 — — US disclosed
US-8273269-B2 Red colour filter composition BASF SE (DE) 2012-09-25 — — US disclosed
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