SCHEMBL8673552

SCHEMBL8673552

COC[C@H]1CC[C@H](COc2ccc(O)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 4/20 0.51
PARP10 Q53GL7 4/20 0.51
PARP2 Q9UGN5 2/20 0.51
TDP1 Q9NUW8 1/20 0.50
LTA4H P09960 1/20 0.43

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
SCHEMBL16902834 0.91 PARP15 (0.59) PARP15PARP10PARP2TDP1
SCHEMBL1263048 0.91 PARP15 (0.59) PARP15PARP10PARP2TDP1
SCHEMBL14817251 0.84 PARP15 (0.53) PARP15PARP10PARP2TDP1
SCHEMBL21051418 0.83 PARP10 (0.62) PARP15PARP10PARP2TDP1
SCHEMBL19665796 0.83 PARP10 (0.62) PARP15PARP10PARP2TDP1
SCHEMBL9815729 0.83 PARP15 (0.49) PARP15PARP10PARP2TDP1LTA4H
SCHEMBL9280802 0.82 TDP1 (0.50) PARP15PARP10PARP2TDP1
SCHEMBL9280800 0.82 TDP1 (0.50) PARP15PARP10PARP2TDP1
SCHEMBL3726896 0.81 PARP10 (0.63) PARP15PARP10PARP2
SCHEMBL21578972 0.81 PARP10 (0.63) PARP15PARP10PARP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10087565-A None JP disclosed
JP-H1087565-A MONOFUNCTIONAL POLYMERIZABLE COMPOUND, AND LIQUID CRYSTALLINE POLYMER COMPRISING ITS POLYMER ASAHI DENKA KOGYO KK 1998-04-07 JP disclosed