SCHEMBL8916727

SCHEMBL8916727

COc1ccccc1C(c1ccccc1)(c1ccccc1OC)C(O)[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C[C@@H]1O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
TYMP P19971 1/20 0.43
TAAR1 Q96RJ0 1/20 0.41
P2RY2 P41231 1/20 0.40
P2RY4 P51582 1/20 0.40
P2RY6 Q15077 1/20 0.40
HINT1 P49773 2/20 0.39
HPGD P15428 1/20 0.39
STING1 Q86WV6 3/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
GSK3A P49840 1/20 0.37
RPS6KA3 P51812 1/20 0.37
MAPK14 Q16539 1/20 0.37
PNP P00491 1/20 0.37

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
SCHEMBL7195662 0.90 POLB (0.39) POLBTYMPTAAR1P2RY2P2RY4
SCHEMBL8574965 0.89 HPGD (0.46) POLBTYMPTAAR1P2RY2P2RY4
SCHEMBL2113123 0.87 KDM4E (0.50) POLBTYMPTAAR1HINT1TAS1R3
SCHEMBL8669174 0.86 TAAR1 (0.51) TYMPTAAR1HINT1HPGDSTING1
SCHEMBL14556177 0.85 TYMP (0.38) TYMPSTING1
SCHEMBL9015823 0.84 ADORA1 (0.44) POLBTYMPSTING1
SCHEMBL15954504 0.81 TYMP (0.38) TYMP
SCHEMBL7199260 0.80 POLB (0.41) POLBP2RY2P2RY4P2RY6PDE3A
SCHEMBL30712246 0.78 POLB (0.58) POLBP2RY2P2RY4P2RY6STING1
SCHEMBL1687292 0.78 TK1 (0.51)

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-5703223-A Solid phase synthesis of oligonucleotides with stereospecific substituted phosphonate linkages by pentavalent grignard coupling THOMAS JEFFERSON UNIVERSITY (US) 1997-12-30 US disclosed