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SCHEMBL10490993

SCHEMBL10490993

COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C(O)[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)C[C@@H]2OC(=O)CCC(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.44
▸ TAAR1 Q96RJ0 2/20 0.41
▸ TYMP P19971 2/20 0.41
▸ XDH P47989 2/20 0.40
▸ HINT1 P49773 3/20 0.40
▸ POLB P06746 1/20 0.39
▸ TAS1R3 Q7RTX0 1/20 0.38
▸ TAS1R1 Q7RTX1 1/20 0.38
▸ GSK3A P49840 1/20 0.38
▸ RPS6KA3 P51812 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ P2RY2 P41231 1/20 0.37
▸ P2RY4 P51582 1/20 0.37
▸ P2RY6 Q15077 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
SCHEMBL4553693 0.88 KDM4E (0.51) HPGDTAAR1TYMPTAS1R3TAS1R1
SCHEMBL8574965 0.87 HPGD (0.46) HPGDTAAR1TYMPXDHHINT1
SCHEMBL7647098 0.81 TAAR1 (0.47) HPGDTAAR1TYMPHINT1TAS1R3
SCHEMBL4434106 0.81 ADORA2A (0.39) —
SCHEMBL1322836 0.81 RNASE1 (0.48) —
SCHEMBL7100209 0.80 TYMP (0.54) HPGDTAAR1TYMPXDHHINT1
SCHEMBL1322232 0.77 TYMP (0.31) TYMP
SCHEMBL8916727 0.77 POLB (0.45) HPGDTAAR1TYMPHINT1POLB
SCHEMBL9790905 0.77 ALDH1A1 (0.44) HPGDTAAR1TYMPHINT1TAS1R3
SCHEMBL8002878 0.77 POLB (0.51) HPGDHINT1POLBP2RY2P2RY4

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-4812512-A SOLID PHASE SYNTHESIS OF OLIGONUCLEOTIDES ROUSSEL UCLAF (FR) 1989-03-14 — — US disclosed