SCHEMBL25119461

SCHEMBL25119461

C=CC(=O)OCCOc1ccc(C(=O)OCc2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.68
▸ KMT2A Q03164 5/20 0.55
▸ SLC6A2 P23975 1/20 0.55
▸ SLC6A3 Q01959 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ MAPT P10636 3/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ ESR1 P03372 1/20 0.48
▸ ESR2 Q92731 1/20 0.48
▸ NR4A1 P22736 1/20 0.48
▸ NR4A2 P43354 1/20 0.48
▸ NR4A3 Q92570 1/20 0.48
▸ PKM P14618 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ PARP10 Q53GL7 2/20 0.46
▸ MAOB P27338 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL25119527 0.96 THRB (0.63) THRBKMT2ASLC6A2SLC6A3TDP1
SCHEMBL25119533 0.96 THRB (0.63) THRBKMT2ASLC6A2SLC6A3TDP1
SCHEMBL27804950 0.93 THRB (0.57) THRBKMT2ASLC6A2SLC6A3TDP1
SCHEMBL51012 0.88 KMT2A (0.71) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL21526655 0.85 KMT2A (0.63) THRBKMT2ASLC6A2SLC6A3TDP1
SCHEMBL8673498 0.84 KMT2A (0.65) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL21947597 0.84 THRB (0.79) THRBKMT2ATDP1PKMMEN1
SCHEMBL17995563 0.82 THRB (0.47) THRBKMT2ALMNAMAPTALDH1A1
SCHEMBL28399672 0.82 THRB (0.47) THRBKMT2ALMNAMAPTALDH1A1
SCHEMBL899301 0.82 THRB (0.77) THRBLMNAMAPTRAB9AALDH1A1

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
WO-2023058418-A1 COMPOSITION, AND PHOTOSENSITIVE COMPOSITION 東京応化工業株式会社 2023-04-13 — — WO disclosed
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