SCHEMBL13624402

SCHEMBL13624402

CCN1CCC(C/C=C/c2ccc(Cl)s2)CC1=O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.35
L3MBTL1 Q9Y468 1/20 0.32
PSEN1 P49768 2/20 0.32
PSEN2 P49810 2/20 0.32
APH1B Q8WW43 2/20 0.32
NCSTN Q92542 2/20 0.32
APH1A Q96BI3 2/20 0.32
PSENEN Q9NZ42 2/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
ALOX12 P18054 1/20 0.31
HTT P42858 1/20 0.31
LMNA P02545 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
PSMD14 O00487 1/20 0.30

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
SCHEMBL13624400 0.72 PIK3CD (0.32)
SCHEMBL13509603 0.66 PTGS1 (0.46) ALDH1A1PTGS1PTGS2PSMD14
SCHEMBL1385479 0.63 F10 (0.47) F10PSEN1PSEN2APH1BNCSTN
SCHEMBL21484158 0.63 PRKCB (0.34) L3MBTL1KDM4EALDH1A1
SCHEMBL21106863 0.63 PIK3CD (0.39) ALDH1A1
SCHEMBL13624405 0.62 POLB (0.40) L3MBTL1ALDH1A1GAATDP1
SCHEMBL1272035 0.62 HSD17B10 (0.33)
SCHEMBL1272034 0.61 USP19 (0.32)
SCHEMBL25669134 0.60 KCNH2 (0.44) ALDH1A1LMNA
SCHEMBL15228275 0.60 CHRM2 (0.45) L3MBTL1ALDH1A1GAA

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-7612075-B2 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2009-11-03 US disclosed