SCHEMBL8941400

SCHEMBL8941400

O=C(OC[C@@]1(O)O[C@H](C(O)C(=O)c2ccccc2)[C@@H](O)[C@@H]1O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.37
▸ MAPK1 P28482 2/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PRKCA P17252 3/20 0.36
▸ SLC22A1 O15245 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ADRB2 P07550 2/20 0.35
▸ ADRB1 P08588 2/20 0.35
▸ ADRB3 P13945 2/20 0.35
▸ TSHR P16473 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL8941175 1.00 ALDH1A1 (0.41) ALDH1A1TDP1MAPK1HIF1ASLC6A2
SCHEMBL8941179 0.73 TP53 (0.37) ALDH1A1SLC6A2SLC6A3KMT2APRKCA
SCHEMBL7214561 0.68 ALDH1A1 (0.39) ALDH1A1TDP1MAPK1HIF1ASLC6A2
SCHEMBL8029410 0.68 LGALS9 (0.40) ALDH1A1TDP1MAPK1HIF1AKMT2A
SCHEMBL9027528 0.68 LGALS9 (0.40) ALDH1A1TDP1MAPK1HIF1AKMT2A
SCHEMBL31120392 0.66 ALDH1A1 (0.45) ALDH1A1TDP1KMT2APRKCAADRB2
SCHEMBL17860796 0.66 ALDH1A1 (0.41) ALDH1A1TDP1MAPK1HIF1ASLC6A2
SCHEMBL38654945 0.65 LMNA (0.49) ALDH1A1TDP1MAPK1HIF1ASLC6A2
SCHEMBL6099706 0.64 LMNA (0.42) ALDH1A1TDP1MAPK1HIF1ASLC6A2
SCHEMBL6099711 0.64 LMNA (0.42) ALDH1A1TDP1MAPK1HIF1ASLC6A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0707590-A1 DIDEOXYFRUCTONUCLEOTIDES AND DEOXYFRUCTONUCLEOTIDES AS DNA POLYMERASE SUBSTRATES DU PONT (US) 1996-04-24 — — EP disclosed
WO-1995001986-A1 DIDEOXYFRUCTONUCLEOTIDES AND DEOXYFRUCTONUCLEOTIDES AS DNA POLYMERASE SUBSTRATES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1995-01-19 — — WO disclosed
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