SCHEMBL11543791

SCHEMBL11543791

CCOC(=O)C1=CCC(C)(N)C=C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.37
MAPT P10636 5/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
LMNA P02545 2/20 0.37
CYP1A2 P05177 2/20 0.37
ALOX15 P16050 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAOA P21397 1/20 0.37
TSHR P16473 2/20 0.36
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 5/20 0.35
HSD17B10 Q99714 3/20 0.35
CA12 O43570 3/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA7 P43166 3/20 0.34
CA9 Q16790 3/20 0.34
CA14 Q9ULX7 3/20 0.34
SMN1; SMN2 Q16637 3/20 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
SCHEMBL28802419 0.81 KDM4E (0.39) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL11545968 0.79 CA1 (0.38) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL29066545 0.77 KDM4E (0.36) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL28889625 0.76 KDM4E (0.35) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL8134700 0.74 ADORA3 (0.35) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL6675233 0.72 GABRR1 (0.32)
SCHEMBL28845108 0.70 TSHR (0.36) LMNACYP1A2CYP3A4TSHRMAPK1
SCHEMBL13969442 0.69 TSHR (0.42) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL4467924 0.68 ALDH1A1 (0.41) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL5114658 0.68 CA12 (0.43) KDM4EMAPTMEN1KMT2ALMNA

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-4165329-A CARBOXYLATED UREA METAL SALTS CHEVRON RESEARCH COMPANY (US) 1979-08-21 US disclosed