SCHEMBL8006782

SCHEMBL8006782

C=CCOP(=O)(O[C@H]1C[C@H](n2cnc3c(=O)[nH]c(N)nc32)O[C@@H]1C(OC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1)C(=O)C(C)C)N(C(C)C)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.39
TYMP P19971 2/20 0.38
HPGD P15428 1/20 0.38
POLB P06746 1/20 0.36
FUT5 Q11128 1/20 0.36
P2RY2 P41231 1/20 0.36
P2RY4 P51582 1/20 0.36
P2RY6 Q15077 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
HINT1 P49773 3/20 0.35
NT5E P21589 1/20 0.35
KRAS P01116 4/20 0.34
TGM2 P21980 1/20 0.34
FUT6 P51993 1/20 0.34
F2 P00734 1/20 0.34

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
SCHEMBL4339434 0.90 TYMP (0.37) TAAR1TYMPHPGDPOLBFUT5
SCHEMBL6831424 0.89 TYMP (0.36) TAAR1TYMPHPGDPOLBFUT5
SCHEMBL6835155 0.87 TYMP (0.36) TAAR1TYMPHPGDPOLBFUT5
SCHEMBL6834953 0.87 TYMP (0.36) TAAR1TYMPHPGDPOLBFUT5
SCHEMBL7073590 0.84 POLB (0.39) TAAR1TYMPHPGDPOLBFUT5
SCHEMBL17599795 0.83 TAS1R3 (0.35) TAAR1TYMPHPGDPOLBFUT5
SCHEMBL6316021 0.83 TYMP (0.39) TAAR1TYMPHPGDPOLBHINT1
SCHEMBL6835146 0.82 TYMP (0.45) TAAR1TYMPHPGDPOLBP2RY2
SCHEMBL17599876 0.81 TAS1R3 (0.35) TAAR1TYMPHPGDPOLBFUT5
SCHEMBL17599829 0.80 TAS1R3 (0.34) TAAR1TYMPHPGDPOLBFUT5

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
WO-2000018778-A1 SYNTHESIS OF CODON RANDOMIZED NUCLEIC ACIDS PHYLOS, INC. (US) 2000-04-06 WO disclosed