SCHEMBL2368809

SCHEMBL2368809

COc1cccc(C(OC[C@H]2O[C@@H](n3ccc(NC(=O)c4ccccc4)nc3=O)C[C@@H]2O)(c2ccccc2)c2cccc(OC)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
ABL1 P00519 1/20 0.47
RIN1 Q13671 1/20 0.47
TYMP P19971 3/20 0.45
NT5E P21589 2/20 0.44
P2RY6 Q15077 2/20 0.44
P2RY14 Q15391 2/20 0.44
GRM5 P41594 1/20 0.37
DUT P33316 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NLRP3 Q96P20 1/20 0.36
PLA2G1B P04054 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35

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
SCHEMBL11134759 1.00 POLB (0.53) POLBABL1RIN1TYMPNT5E
SCHEMBL5358852 0.94 POLB (0.56) POLBABL1RIN1TYMPNT5E
SCHEMBL5925303 0.94 POLB (0.56) POLBABL1RIN1TYMPNT5E
SCHEMBL10491019 0.93 POLB (0.54) POLBABL1RIN1TYMPNT5E
SCHEMBL8655916 0.92 POLB (0.62) POLBABL1RIN1TYMPNT5E
SCHEMBL8655914 0.92 POLB (0.62) POLBABL1RIN1TYMPNT5E
SCHEMBL8906384 0.91 POLB (0.51) POLBABL1RIN1TYMPNT5E
SCHEMBL1527090 0.91 POLB (0.57) POLBABL1RIN1TYMPNT5E
SCHEMBL24115327 0.88 TYMP (0.48) POLBABL1RIN1TYMPNT5E
SCHEMBL20596260 0.88 TYMP (0.48) POLBABL1RIN1TYMPNT5E

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-2011106114-A1 IDENTIFICATION OF HUMAN T2R RECEPTORS AND THE USE THEREOF TO IDENTIFY INHIBITORS (BLOCKERS) OF BITTER TASTE SENOMYX, INC. (US) 2011-09-01 WO disclosed