SCHEMBL17956700

SCHEMBL17956700

CCCOC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FTO Q9C0B1 9/20 0.57
▸ MAPT P10636 3/20 0.57
▸ TDP1 Q9NUW8 2/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ HTT P42858 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ HPGD P15428 2/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ RECQL P46063 1/20 0.57
▸ BLM P54132 1/20 0.57
▸ SMAD3 P84022 1/20 0.57
▸ PRMT1 Q99873 1/20 0.57
▸ ACE2 Q9BYF1 1/20 0.57
▸ KCNH2 Q12809 1/20 0.50
▸ ALDH1A1 P00352 4/20 0.47
▸ ESR1 P03372 1/20 0.47
▸ CHRM1 P11229 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ SLC6A2 P23975 1/20 0.47
▸ KDR P35968 1/20 0.47

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
SCHEMBL17956693 0.93 FTO (0.56) FTOMAPTTDP1MEN1HTT
SCHEMBL17970189 0.86 MAPT (0.66) FTOMAPTTDP1MEN1HTT
SCHEMBL27853887 0.85 FTO (0.52) FTOMAPTTDP1MEN1HTT
SCHEMBL21449127 0.85 CYP3A4 (0.50) FTOMAPTTDP1MEN1HTT
SCHEMBL17956695 0.85 ALDH1A1 (0.41) FTOMAPTTDP1MEN1HTT
SCHEMBL14769914 0.83 FTO (0.63) FTOMAPTTDP1MEN1HTT
SCHEMBL23002085 0.83 FTO (0.59) FTOMAPTTDP1MEN1HTT
Alcohol SCHEMBL28868880 0.82 FTO (0.62) FTOMAPTTDP1MEN1HTT
SCHEMBL12275226 0.82 FTO (0.72) FTOMAPTTDP1MEN1HTT
Acetic Acid SCHEMBL27593535 0.82 FTO (0.60) FTOMAPTTDP1MEN1HTT

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
EP-3050886-A1 Fluorescent dyes and dye precursors Bürkert Werke GmbH (DE) 2016-08-03 — — EP disclosed
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