SCHEMBL28100584

SCHEMBL28100584

COC(=O)c1cc(C(=O)O)c2cc(OCF)ccc2n1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.53
▸ HSD17B10 Q99714 3/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ HPGD P15428 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ POLB P06746 1/20 0.50
▸ PLA2G2A P14555 8/20 0.48
▸ LMNA P02545 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ ASPH Q12797 1/20 0.40
▸ RIOX2 Q8IUF8 1/20 0.40
▸ KDM8 Q8N371 1/20 0.40
▸ DHODH Q02127 2/20 0.40
▸ L3MBTL1 Q9Y468 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
SCHEMBL28130384 0.85 KDM4E (0.68) KDM4EHSD17B10ALDH1A1SMN1; SMN2HPGD
SCHEMBL28602079 0.80 PLA2G2A (0.58) KDM4EHSD17B10ALDH1A1SMN1; SMN2HPGD
SCHEMBL16832843 0.79 PLA2G2A (0.69) KDM4EHSD17B10ALDH1A1SMN1; SMN2HPGD
SCHEMBL28100426 0.79 KDM4E (0.56) KDM4EHSD17B10ALDH1A1SMN1; SMN2HPGD
SCHEMBL28100530 0.78 ALDH1A1 (0.64) KDM4EHSD17B10ALDH1A1SMN1; SMN2HPGD
SCHEMBL28100420 0.78 PLA2G2A (0.58) KDM4EHSD17B10ALDH1A1HPGDPLA2G2A
SCHEMBL28608277 0.77 CFTR (0.51) KDM4EHSD17B10ALDH1A1SMN1; SMN2HPGD
SCHEMBL28100421 0.76 NQO2 (0.44) KDM4EHSD17B10ALDH1A1SMN1; SMN2HPGD
SCHEMBL15129579 0.76 KDM4E (0.73) KDM4EHSD17B10ALDH1A1SMN1; SMN2HPGD
SCHEMBL28100588 0.76 KDM4E (0.60) KDM4EALDH1A1SMN1; SMN2HPGDPOLB

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-106029647-A Glucose transport inhibitors 拜耳制药股份公司 2016-10-12 — — CN disclosed
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