SCHEMBL30449714

SCHEMBL30449714

O=C(OCc1ccccc1)c1c[nH]cc1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.57
▸ TDP1 Q9NUW8 4/20 0.55
▸ KMT2A Q03164 3/20 0.53
▸ SLC6A2 P23975 1/20 0.53
▸ SLC6A3 Q01959 1/20 0.53
▸ L3MBTL1 Q9Y468 5/20 0.49
▸ MAPK1 P28482 3/20 0.49
▸ TSHR P16473 2/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ POLB P06746 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MMP2 P08253 2/20 0.47
▸ MMP9 P14780 2/20 0.47
▸ MMP12 P39900 2/20 0.47
▸ MMP1 P03956 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL9788724 0.87 ALDH1A1 (0.68) ALDH1A1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL4042415 0.83 TSHR (0.58) ALDH1A1KMT2AMAPK1TSHRCYP3A4
SCHEMBL30449056 0.83 ALDH1A1 (0.54) ALDH1A1TDP1KMT2AL3MBTL1MAPK1
SCHEMBL9788725 0.82 ALDH1A1 (0.72) ALDH1A1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL7654417 0.82 ALDH1A1 (0.67) ALDH1A1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL4528251 0.79 ALDH1A1 (0.58) ALDH1A1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL25431505 0.78 ALDH1A1 (0.56) ALDH1A1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL29388715 0.77 ALDH1A1 (0.89) ALDH1A1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL50441 0.77 ALDH1A1 (0.89) ALDH1A1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL6394227 0.77 TDP1 (0.62) ALDH1A1TDP1KMT2ASLC6A2SLC6A3

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-116348568-A perylene-BODIPY ternary compounds for horticultural use 日东电工株式会社 2023-06-27 — — CN disclosed
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