SCHEMBL9738798

SCHEMBL9738798

COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C(O)[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)C[C@@]2(O)C(C)=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DUT P33316 9/20 0.39
P2RY14 Q15391 2/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NT5E P21589 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
NPY2R P49146 1/20 0.32
PSMB1 P20618 1/20 0.31
PSMB8 P28062 1/20 0.31
PSMB9 P28065 1/20 0.31
PSMB5 P28074 1/20 0.31
P2RY2 P41231 1/20 0.31
P2RY6 Q15077 1/20 0.31

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
SCHEMBL9738791 0.89 DUT (0.38) DUTMEN1KMT2ANT5ECYP3A4
SCHEMBL2114483 0.78 DUT (0.52) DUTP2RY14MEN1KMT2AP2RY2
SCHEMBL9552002 0.78 DUT (0.42) DUTMEN1KMT2ANT5ECYP3A4
SCHEMBL9174054 0.77 P2RY14 (0.35) DUTP2RY14NT5ECYP3A4CYP2C9
SCHEMBL4366634 0.77 SLC28A1 (0.36) DUTNT5EP2RY2P2RY6
SCHEMBL9176012 0.77 P2RY14 (0.40) DUTP2RY14NT5EP2RY2P2RY6
SCHEMBL5962102 0.76 P2RY14 (0.33) DUTP2RY14NT5E
SCHEMBL8970004 0.76 P2RY14 (0.39) DUTP2RY14NT5EP2RY2P2RY6
SCHEMBL20603109 0.75 P2RY14 (0.38) DUTP2RY14NT5ECYP3A4CYP2C9
SCHEMBL442715 0.75 P2RY14 (0.48) P2RY14P2RY2P2RY6

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-5091519-A Nucleotide compositions with linking groups AMOCO CORPORATION (US) 1992-02-25 US disclosed