SCHEMBL8495284

SCHEMBL8495284

O=[C]c1ccccc1-c1ccc(OCC2CCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 5/20 0.47
PARP10 Q53GL7 5/20 0.47
PARP2 Q9UGN5 2/20 0.47
FFAR4 Q5NUL3 2/20 0.43
PDK2 Q15119 3/20 0.43
GPR88 Q9GZN0 2/20 0.41
MAOB P27338 2/20 0.40
MAOA P21397 1/20 0.40
FFAR1 O14842 1/20 0.39
AKR1B1 P15121 1/20 0.39
KDM1A O60341 2/20 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
SCHEMBL8495993 0.84 NFE2L2 (0.50) FFAR4
SCHEMBL8496114 0.83 NFE2L2 (0.52) FFAR4
SCHEMBL3067622 0.79 PARP15 (0.54) PARP15PARP10PARP2
SCHEMBL8494092 0.76 HPGD (0.45) FFAR4
SCHEMBL3651563 0.76 HTR2C (0.47) PARP15PARP10PARP2
SCHEMBL8884937 0.74 PARP10 (0.58) PARP15PARP10PARP2MAOBMAOA
SCHEMBL8496390 0.74 LTA4H (0.53) FFAR4
SCHEMBL6539202 0.73 MCHR1 (0.44) PARP15PARP10
SCHEMBL23483166 0.72 LTA4H (0.56) PARP15PARP10PARP2MAOBMAOA
SCHEMBL8882858 0.72 PARP10 (0.59) PARP15PARP10PARP2MAOBMAOA

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-5932543-A INHIBITING FUNGAL AND PARASITIC ACTIVITY ELI LILLY AND COMPANY (US) 1999-08-03 US disclosed