SCHEMBL10710403

SCHEMBL10710403

O=C1OC2(c3ccc(O)cc3Oc3cc(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc32)c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.59
MEN1 O00255 2/20 0.59
HTT P42858 2/20 0.59
KMT2A Q03164 2/20 0.59
FTO Q9C0B1 2/20 0.59
HPGD P15428 1/20 0.59
CYP2C19 P33261 1/20 0.59
RECQL P46063 1/20 0.59
BLM P54132 1/20 0.59
SMAD3 P84022 1/20 0.59
PRMT1 Q99873 1/20 0.59
ACE2 Q9BYF1 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
CYP3A4 P08684 1/20 0.51
TYR P14679 4/20 0.50
LMNA P02545 2/20 0.50
USP2 O75604 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TRPA1 O75762 1/20 0.50
P4HB P07237 1/20 0.50

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
SCHEMBL869219 1.00 MAPT (0.59) MAPTMEN1HTTKMT2AFTO
SCHEMBL1029869 1.00 MAPT (0.59) MAPTMEN1HTTKMT2AFTO
SCHEMBL20777527 1.00 MAPT (0.59) MAPTMEN1HTTKMT2AFTO
SCHEMBL3695146 1.00 MAPT (0.59) MAPTMEN1HTTKMT2AFTO
SCHEMBL29661300 1.00 MAPT (0.59) MAPTMEN1HTTKMT2AFTO
SCHEMBL597089 1.00 MAPT (0.59) MAPTMEN1HTTKMT2AFTO
SCHEMBL20777529 0.95 CYP3A4 (0.55) MAPTMEN1HTTKMT2AFTO
SCHEMBL402758 0.95 CYP3A4 (0.55) MAPTMEN1HTTKMT2AFTO
SCHEMBL1032639 0.95 CYP3A4 (0.55) MAPTMEN1HTTKMT2AFTO
SCHEMBL10606489 0.95 CYP3A4 (0.55) MAPTMEN1HTTKMT2AFTO

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-0174477-B1 MEANS AND METHOD FOR DETERMINING ANTIMICROBIAL-ACTIVEN SUBSTANCES MERCK PATENT GmbH (DE) 1988-03-30 EP disclosed
EP-0174477-A1 Means and method for determining antimicrobial-activen substances MERCK PATENT GmbH (DE) 1986-03-19 EP disclosed