SCHEMBL28201094

SCHEMBL28201094

CCOC(=O)CCC12CCC(CC1=O)C2(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
ALDH1A1 P00352 5/20 0.46
F2 P00734 2/20 0.45
PRSS1 P07477 2/20 0.45
PRSS2 P07478 2/20 0.45
PRSS3 P35030 2/20 0.45
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL4377617 0.86 KMT2A (0.50) KMT2AMEN1ALDH1A1F2PRSS1
SCHEMBL4370676 0.86 KMT2A (0.50) KMT2AMEN1ALDH1A1F2PRSS1
SCHEMBL4632377 0.86 KMT2A (0.50) KMT2AMEN1ALDH1A1F2PRSS1
SCHEMBL27669444 0.79 KMT2A (0.61) KMT2AMEN1ALDH1A1F2PRSS1
SCHEMBL8459379 0.78 ALDH1A1 (0.56) KMT2AMEN1ALDH1A1F2PRSS1
SCHEMBL28252797 0.78 KMT2A (0.48) KMT2AMEN1ALDH1A1F2PRSS1
SCHEMBL15681900 0.78 KMT2A (0.56) KMT2AMEN1ALDH1A1F2PRSS1
SCHEMBL28597769 0.77 PRKCA (0.46) KMT2AMEN1ALDH1A1F2PRSS1
SCHEMBL28548591 0.76 KMT2A (0.55) KMT2AMEN1ALDH1A1F2PRSS1
SCHEMBL22432809 0.76 KMT2A (0.55) KMT2AMEN1ALDH1A1F2PRSS1

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
CN-104707075-B A kind of Miao-nationality medicinal combination and preparation method for treating dysmenorrhoea and irregular menstruation 李果 2018-02-27 CN disclosed