SCHEMBL11080452

SCHEMBL11080452

CC(=O)[C@H]1CC[C@H](C(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.43
ROCK1 Q13464 4/20 0.43
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALOX5 P09917 1/20 0.35
PKN2 Q16513 3/20 0.31
RPS6KA5 O75582 2/20 0.31
LRRK2 Q5S007 2/20 0.31
TSHR P16473 2/20 0.31
TP53 P04637 2/20 0.31
CYP3A4 P08684 2/20 0.31
CHUK O15111 1/20 0.31
PRKD3 O94806 1/20 0.31
CDK1 P06493 1/20 0.31
CDK2 P24941 1/20 0.31
LTK P29376 1/20 0.31
CDK8 P49336 1/20 0.31
PRKX P51817 1/20 0.31
CDK5 Q00535 1/20 0.31
PRKCQ Q04759 1/20 0.31

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
SCHEMBL1227336 1.00 ROCK2 (0.43) ROCK2ROCK1LMNATDP1ALOX5
SCHEMBL8072275 1.00 ROCK2 (0.43) ROCK2ROCK1LMNATDP1ALOX5
SCHEMBL10885253 0.86 ROCK2 (0.38) ROCK2ROCK1LMNATDP1ALOX5
SCHEMBL2617044 0.81 MAPT (0.38) LMNATDP1TSHRHTTTHPO
SCHEMBL13165512 0.81 MAPT (0.38) LMNATDP1TSHRHTTTHPO
SCHEMBL76462 0.81
SCHEMBL13165462 0.81 MAPT (0.38) LMNATDP1TSHRHTTTHPO
SCHEMBL6543370 0.80 ROCK2 (0.43) ROCK2ROCK1LMNATDP1ALOX5
SCHEMBL22675415 0.80 ALOX5 (0.31) ALOX5
SCHEMBL10270877 0.80 ROCK2 (0.43) ROCK2ROCK1LMNATDP1ALOX5

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-4452813-A BENZENESULFONYLOXY-CYCLOHEXYLALKANONES TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1984-06-05 US disclosed