SCHEMBL6274750

SCHEMBL6274750

CC(C)C1CCC(C(=O)O)CC1.CC(C)C1CCC(C(N)=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
PLG P00747 1/20 0.41
PLAT P00750 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
ALOX5 P09917 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ANPEP P15144 1/20 0.37
ENPEP Q07075 1/20 0.37
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
TSHR P16473 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35

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
SCHEMBL10270878 0.92 ALOX5 (0.43) LMNATDP1ALOX5ROCK2ROCK1
SCHEMBL659048 0.92 ALOX5 (0.43) LMNATDP1ALOX5ROCK2ROCK1
SCHEMBL8073959 0.92 ALOX5 (0.43) LMNATDP1ALOX5ROCK2ROCK1
SCHEMBL1692318 0.89 ROCK2 (0.43) LMNAPLGPLATTDP1ALOX5
SCHEMBL824154 0.89 ROCK2 (0.43) LMNAPLGPLATTDP1ALOX5
SCHEMBL10270877 0.89 ROCK2 (0.43) LMNAPLGPLATTDP1ALOX5
SCHEMBL28283154 0.87 ROCK2 (0.42) LMNAPLGPLATTDP1ALOX5
Hydrochloric Acid SCHEMBL1692314 0.87 ROCK2 (0.42) LMNAPLGPLATTDP1ALOX5
Hydrochloric Acid SCHEMBL1692312 0.87 ROCK2 (0.42) LMNAPLGPLATTDP1ALOX5
SCHEMBL28284574 0.85 ROCK2 (0.41) LMNAPLGPLATTDP1ALOX5

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
EP-1606244-A2 CYCLOALKYLAMIDES AND THEIR THERAPEUTIC USE AS ANTIEPILEPTIC AND ANTICONVULSANT Abbott Laboratories (US) 2005-12-21 EP disclosed
WO-2004037769-A2 CYCLOALKYLAMIDES AND THEIR THERAPEUTIC USE AS ANTIEPILEPTIC AND ANTICONVULSANT ABBOTT LABORATORIES (US) 2004-05-06 WO disclosed