SCHEMBL7975758

SCHEMBL7975758

O[C@@H]([C@H](O)[C@@H](COCc1ccccc1F)OCc1ccc(OCc2ccccc2)cc1)[C@@H](COCc1ccccc1F)OCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.48
LPAR1 Q92633 1/20 0.45
LPAR5 Q9H1C0 1/20 0.45
SCN9A Q15858 1/20 0.42
PARP15 Q460N3 1/20 0.42
PARP14 Q460N5 1/20 0.42
PARP10 Q53GL7 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTGS2 P35354 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HIF1A Q16665 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
SCN3A Q9NY46 1/20 0.42
PTPN1 P18031 1/20 0.42
NPC1 O15118 1/20 0.41
CASP3 P42574 1/20 0.41

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
SCHEMBL7989289 0.91 CA1 (0.42) MAOBLPAR1LPAR5
SCHEMBL7456440 0.90 MAOB (0.46) MAOBLPAR1LPAR5PTPN1
SCHEMBL7989311 0.90 CA1 (0.44)
SCHEMBL7987303 0.89 HSP90AA1 (0.43) MAOBLPAR1LPAR5PTPN1SMN1; SMN2
SCHEMBL7447822 0.88 HSP90AA1 (0.44) MAOB
SCHEMBL7456407 0.87 LMNA (0.51) MAOBLMNACYP1A2PTGS1SLC6A2
SCHEMBL7986279 0.87 CA1 (0.45) MAOBSCN9APARP15PARP10LMNA
SCHEMBL7976176 0.86 MEN1 (0.49) MAOBPARP10LMNACYP1A2PTGS1
SCHEMBL7509725 0.86 MAOB (0.47) MAOBPPARA
SCHEMBL7987648 0.86 HSP90AA1 (0.39) MAOBSCN9ALMNASMN1; SMN2

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-6313177-B1 AS ANTIVIRAL AGENTS PHARMACOR INC. (CA) 2001-11-06 US disclosed