SCHEMBL27319981

SCHEMBL27319981

C/C=C/c1cc(O)c(O)c(C=O)c1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 8/20 0.45
▸ CNR2 P34972 1/20 0.41
▸ PIM1 P11309 1/20 0.38
▸ TYR P14679 1/20 0.37
▸ XDH P47989 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ RAB9A P51151 1/20 0.36

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
SCHEMBL1527073 0.81 XDH (0.52) ERN1PIM1XDHKDM4EPTGS2
SCHEMBL9743561 0.81 CNR2 (0.52) CNR2PIM1TYRKDM4EPTGS2
SCHEMBL21841323 0.81 CNR2 (0.52) CNR2PIM1TYRKDM4EPTGS2
SCHEMBL9743555 0.81 CNR2 (0.52) CNR2PIM1TYRKDM4EPTGS2
SCHEMBL14281153 0.81 XDH (0.53) ERN1PIM1XDHKDM4E
SCHEMBL14205615 0.77 CNR2 (0.55) CNR2TYRXDHKDM4EPTGS2
SCHEMBL4466967 0.77 CNR2 (0.60) ERN1CNR2TYRXDHKDM4E
SCHEMBL13469126 0.77 CNR2 (0.60) ERN1CNR2TYRXDHKDM4E
SCHEMBL6555264 0.74 CNR2 (0.45) ERN1CNR2TYRKDM4EPTGS2
SCHEMBL15697834 0.74 ERN1 (0.50) ERN1PIM1

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
CN-1047075-A Luminandide medicine MILLS RANDELL L (US) 1990-11-21 — — CN disclosed
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