SCHEMBL9280802

SCHEMBL9280802

COCC1CCC(COc2ccc(Br)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
PARP15 Q460N3 3/20 0.47
PARP10 Q53GL7 3/20 0.47
PARP2 Q9UGN5 2/20 0.47
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL9280800 1.00 TDP1 (0.50) TDP1PARP15PARP10PARP2SIGMAR1
SCHEMBL9966867 0.91 PARP15 (0.55) TDP1PARP15PARP10PARP2SIGMAR1
SCHEMBL11312939 0.84 PARP15 (0.46) TDP1PARP15PARP10PARP2SIGMAR1
SCHEMBL11312915 0.84 PARP15 (0.46) TDP1PARP15PARP10PARP2SIGMAR1
SCHEMBL3572304 0.83 PARP15 (0.57) TDP1PARP15PARP10PARP2
SCHEMBL5118241 0.83 PARP10 (0.57) TDP1PARP15PARP10PARP2
SCHEMBL8673552 0.82 PARP15 (0.51) TDP1PARP15PARP10PARP2
SCHEMBL385757 0.81 PARP10 (0.58) TDP1PARP15PARP10PARP2
SCHEMBL29024848 0.80 PARP15 (0.64) TDP1PARP15PARP10PARP2SIGMAR1
SCHEMBL11316847 0.80 PARP15 (0.43) TDP1PARP15PARP10PARP2

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-7233113-A None JP disclosed
JP-H07233113-A CYCLOHEXYLMETHOXYBENZENE DERIVATIVE ASAHI DENKA KOGYO KK 1995-09-05 JP disclosed