SCHEMBL11051437

SCHEMBL11051437

COC1(OC)[C@H](O)[C@@H](CO)O[C@]1(n1cnc2c(=O)[nH]c(NC(=O)C(C)C)nc21)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
POLA1 P09884 1/20 0.34
TAAR1 Q96RJ0 2/20 0.33
TK1 P04183 1/20 0.33

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
SCHEMBL27930721 0.92 KDM4E (0.45) KDM4ETAS1R3TAS1R1POLA1TAAR1
SCHEMBL5133064 0.88 KDM4E (0.41) KDM4ETAS1R3TAS1R1
SCHEMBL29834202 0.87 KDM4E (0.42) KDM4ETAS1R3TAS1R1POLA1
SCHEMBL3810729 0.84 HPGD (0.42) TAS1R3TAS1R1TAAR1TK1
SCHEMBL30721730 0.82 KDM4E (0.35) KDM4E
SCHEMBL14722199 0.80 KDM4E (0.40) KDM4ETAS1R3TAS1R1TAAR1
SCHEMBL30514383 0.80 KDM4E (0.42) KDM4ETAS1R3TAS1R1POLA1TAAR1
SCHEMBL31440251 0.78 POLA1 (0.32) TAS1R3TAS1R1POLA1TK1
SCHEMBL7155978 0.78 KDM4E (0.38) KDM4E
SCHEMBL29834213 0.77 KDM4E (0.41) KDM4ETAS1R3TAS1R1POLA1

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-0102995-A1 POLYNUCLEOTIDE SYNTHESIS CELLTECH LIMITED (GB) 1984-03-21 EP disclosed
WO-1983003098-A1 POLYNUCLEOTIDE SYNTHESIS EATON, MICHAEL, ANTHONY, WILLIAM 1983-09-15 WO disclosed