SCHEMBL2468055

SCHEMBL2468055

CC1(C)CC(=O)C=C(NCCN2CCCCC2)C1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.66
POLB P06746 2/20 0.66
LMNA P02545 2/20 0.61
HTT P42858 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
KMT2A Q03164 2/20 0.58
USP2 O75604 2/20 0.57
MAPT P10636 2/20 0.56
KDM4E B2RXH2 1/20 0.55
MAPK1 P28482 1/20 0.54
MEN1 O00255 1/20 0.49
APEX1 P27695 1/20 0.49
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL12869168 0.81 LMNA (0.83) ALDH1A1POLBLMNASMN1; SMN2KMT2A
SCHEMBL486324 0.77 LMNA (1.00) ALDH1A1POLBLMNASMN1; SMN2KMT2A
SCHEMBL5682463 0.75 LMNA (0.73) ALDH1A1POLBLMNAHTTSMN1; SMN2
SCHEMBL2472316 0.74 NPSR1 (0.54) ALDH1A1LMNAKMT2AMAPTKDM4E
SCHEMBL12869188 0.74 LMNA (0.71) ALDH1A1POLBLMNASMN1; SMN2KMT2A
SCHEMBL486694 0.73 LMNA (0.74) ALDH1A1LMNASMN1; SMN2KMT2AUSP2
SCHEMBL9433082 0.72 MAPT (1.00) ALDH1A1POLBLMNASMN1; SMN2KMT2A
SCHEMBL12869186 0.69 MAPT (0.63) ALDH1A1POLBLMNAKMT2AUSP2
SCHEMBL24880296 0.68 LMNA (0.61) POLBLMNAHTTSMN1; SMN2KMT2A
SCHEMBL486405 0.67 LMNA (0.59) ALDH1A1LMNASMN1; SMN2KMT2AMAPT

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
WO-2011121068-A1 AMINO DERIVATIVES OF CYCLOHEX-2-ENONE, THEIR PREPARATION AND USE AS ANTIOXIDANTS ABIOGEN PHARMA S.P.A. (IT) 2011-10-06 WO disclosed
EP-2371816-A1 Aminocyclohexenone, their preparation and use as medicament against oxidative stress ABIOGEN PHARMA S.p.A. (IT) 2011-10-05 EP disclosed