SCHEMBL9548725

SCHEMBL9548725

COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C(O)[C@H]2O[C@H](n3cnc4c(=O)[nH]cnc43)C[C@@H]2O)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TYMP P19971 4/20 0.58
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
ALB P02768 1/20 0.41
MAPK1 P28482 1/20 0.41
STING1 Q86WV6 4/20 0.38
GSK3A P49840 2/20 0.38
RPS6KA3 P51812 2/20 0.38
MAPK14 Q16539 2/20 0.38
P2RX3 P56373 1/20 0.37
MAPT P10636 1/20 0.35
PKM P14618 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
SCHEMBL8574965 0.88 HPGD (0.46) TYMPSTING1GSK3ARPS6KA3MAPK14
SCHEMBL1499972 0.85 ADORA1 (0.47) TYMP
SCHEMBL15954506 0.84 TYMP (0.40) TYMP
SCHEMBL7534659 0.82 KDM4E (0.49) TYMPALDH1A1LMNAMAPT
SCHEMBL9801846 0.82 TYMP (0.41) TYMP
SCHEMBL2113125 0.82 KDM4E (0.49) TYMPALDH1A1LMNAMAPT
SCHEMBL14556178 0.82 TYMP (0.39) TYMP
SCHEMBL12540856 0.82 TYMP (0.42) TYMPMAPTPKM
SCHEMBL29673058 0.82 TYMP (0.87) TYMPALDH1A1LMNAALBMAPK1
SCHEMBL18486353 0.82 TYMP (0.87) TYMPALDH1A1LMNAALBMAPK1

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