SCHEMBL11568985

SCHEMBL11568985

O=C(CCC(=O)OCC1CC=CCC1)OCC1CC=CCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
CDK1 P06493 2/20 0.37
CCNB1 P14635 2/20 0.37
CCNA2 P20248 2/20 0.37
CDK2 P24941 2/20 0.37
CCNA1 P78396 2/20 0.37
ALDH1A1 P00352 8/20 0.36
KDM4E B2RXH2 8/20 0.36
TDP1 Q9NUW8 4/20 0.36
PKM P14618 1/20 0.36
USP2 O75604 1/20 0.36
ALOX15 P16050 1/20 0.36
SCN9A Q15858 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
POLB P06746 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34

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
SCHEMBL8634714 0.93 ALDH1A1 (0.43) LMNAMAPK1SMN1; SMN2CDK1CCNB1
SCHEMBL16415763 0.90 LMNA (0.39) LMNAMAPK1SMN1; SMN2CDK1CCNB1
SCHEMBL19695054 0.87 MAPK1 (0.39) LMNAMAPK1SMN1; SMN2CDK1CCNB1
SCHEMBL18830659 0.87 MAPK1 (0.39) LMNAMAPK1SMN1; SMN2CDK1CCNB1
SCHEMBL28357278 0.87 LMNA (0.47) LMNAMAPK1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL24383314 0.86 LMNA (0.54) LMNAMAPK1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL11322790 0.86 NAAA (0.45) ALDH1A1TDP1USP2ALOX15
SCHEMBL19707938 0.86 KDM4E (0.40) LMNAMAPK1SMN1; SMN2CDK1CCNB1
SCHEMBL17616839 0.85 MAPK1 (0.42) LMNAMAPK1SMN1; SMN2CDK1CCNB1
SCHEMBL17601883 0.85 MAPK1 (0.42) LMNAMAPK1SMN1; SMN2CDK1CCNB1

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-4150237-A INTERMEDIATES IN THE FORMATION OF EPOXIDES THE DOW CHEMICAL COMPANY (US) 1979-04-17 US claimed