SCHEMBL7990400

SCHEMBL7990400

O=C(O[C@H](COCc1ccccc1)[C@@H](O)[C@H](O)[C@@H](COCc1ccccc1)OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.51
SLC6A3 Q01959 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
PRKCA P17252 1/20 0.51
ALDH1A1 P00352 1/20 0.50
CA1 P00915 4/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
TSHR P16473 2/20 0.45
TP53 P04637 1/20 0.45
SLC1A1 P43005 1/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.43
CYP2D6 P10635 1/20 0.43
HTT P42858 1/20 0.42
ADRB2 P07550 3/20 0.41
ADRB1 P08588 3/20 0.41
ADRB3 P13945 3/20 0.41

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
SCHEMBL10590715 0.85 SLC6A2 (0.49) SLC6A2SLC6A3KMT2ATDP1PRKCA
SCHEMBL22132974 0.80 ALDH1A1 (0.43) SLC6A2SLC6A3KMT2ATDP1ALDH1A1
SCHEMBL7989835 0.79 KMT2A (0.60) SLC6A2SLC6A3KMT2ATDP1PRKCA
SCHEMBL7516982 0.78 CA1 (0.47) KMT2ACA1CA2TSHRLMNA
SCHEMBL7990473 0.78 CA1 (0.47) KMT2ACA1CA2TSHRLMNA
SCHEMBL12770838 0.78 KMT2A (0.50) SLC6A2SLC6A3KMT2ATDP1ALDH1A1
SCHEMBL7975459 0.77 CA1 (0.43) KMT2ACA1CA2CA7CA9
SCHEMBL5742123 0.77 CA1 (0.56) KMT2ACA1CA2CA7CA9
SCHEMBL14368406 0.77 PRKCA (0.63) SLC6A2SLC6A3KMT2ATDP1PRKCA
SCHEMBL8997848 0.77 KMT2A (0.40) SLC6A2SLC6A3KMT2ATDP1PRKCA

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
US-6313177-B1 AS ANTIVIRAL AGENTS PHARMACOR INC. (CA) 2001-11-06 US disclosed