SCHEMBL9548719

SCHEMBL9548719

COc1ccccc1C(OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]cnc32)C[C@@H]1O)(c1ccccc1)c1ccccc1OC

nearest known ligand 0.82

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TYMP P19971 12/20 0.82
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
ALB P02768 1/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 2/20 0.41
GSK3A P49840 1/20 0.40
RPS6KA3 P51812 1/20 0.40
MAPK14 Q16539 1/20 0.40
P2RX3 P56373 1/20 0.39

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
SCHEMBL29673058 0.89 TYMP (0.87) TYMPALDH1A1LMNAALBMAPK1
SCHEMBL18486353 0.89 TYMP (0.87) TYMPALDH1A1LMNAALBMAPK1
SCHEMBL12614152 0.85 TYMP (0.60) TYMPALDH1A1LMNAALBMAPK1
SCHEMBL12541747 0.85 TYMP (0.60) TYMPALDH1A1LMNAALBMAPK1
SCHEMBL12540855 0.83 TYMP (0.56) TYMP
SCHEMBL12541802 0.81 TYMP (0.56) TYMPALDH1A1LMNAALBMAPK1
SCHEMBL26757542 0.80 TYMP (0.70) TYMPALDH1A1LMNAALBMAPK1
SCHEMBL26757236 0.80 TYMP (0.70) TYMPALDH1A1LMNAALBMAPK1
SCHEMBL10394330 0.79 TYMP (0.53) TYMPALDH1A1LMNAALBMAPK1
SCHEMBL9773299 0.79 TYMP (0.53) TYMPPOLB

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-5192749-A Viricide, AIDS SYNTEX (U.S.A.) INC. (US) 1993-03-09 US disclosed