SCHEMBL14380347

SCHEMBL14380347

Cc1cc2c3c(cccc3c1C)C(=O)OC2=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 10/20 0.51
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ PABPC1 P11940 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ALOX15 P16050 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ NQO2 P16083 1/20 0.35
▸ BRD1 O95696 2/20 0.35

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
SCHEMBL7709575 0.83 TYMS (0.49) TYMSKDM4EMAPTPABPC1SMN1; SMN2
SCHEMBL9079081 0.81 TYMS (0.50) TYMSKDM4EMAPTPABPC1SMN1; SMN2
SCHEMBL6984126 0.79 MAPT (0.62) TYMSKDM4EMAPTPABPC1SMN1; SMN2
SCHEMBL9847741 0.77 ALDH1A1 (0.59) KDM4EMAPTPABPC1SMN1; SMN2MEN1
SCHEMBL9041820 0.76 ALDH1A1 (0.63) TYMSALOX15TDP1ALDH1A1HPGD
SCHEMBL10267341 0.74 TYMS (0.70) TYMSKDM4EMAPTPABPC1SMN1; SMN2
SCHEMBL6719946 0.74 TYMS (0.55) TYMSALOX15TDP1MEN1POLB
SCHEMBL8547705 0.74 TYMS (0.46) TYMSKDM4EMAPTPABPC1SMN1; SMN2
SCHEMBL9080061 0.73 TYMS (0.46) TYMSALDH1A1HPGDTSHRMAPK1
SCHEMBL2607526 0.73 TYMS (0.41) TYMSALOX15TDP1MEN1POLB

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
US-7288567-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2007-10-30 — — US disclosed
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