SCHEMBL11266217

SCHEMBL11266217

COC(=O)C(c1cccc(Oc2cccc3ccccc23)n1)(C(C)C)C(C)C=C(Cl)Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 2/20 0.36
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
ESRRA P11474 1/20 0.34
PGR P06401 1/20 0.34
GAA P10253 1/20 0.34
PTGS1 P23219 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK10 P53779 1/20 0.33
BRAF P15056 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
SIRT3 Q9NTG7 1/20 0.31
HPGD P15428 2/20 0.31
CYP26A1 O43174 1/20 0.31

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
SCHEMBL11264169 0.89 CARM1 (0.35) ALDH1A1HSD17B10KDM4ECARM1PRMT6
SCHEMBL11267883 0.83 SCN9A (0.38) KMT2AMEN1
SCHEMBL11273179 0.83 FPR2 (0.37) ALDH1A1KDM4EGAAKMT2AMEN1
SCHEMBL11279536 0.82 P2RX3 (0.39) KDM4EKMT2AMEN1
SCHEMBL11284587 0.82 P2RX3 (0.40)
SCHEMBL11275031 0.81 FPR2 (0.36) ALDH1A1HSD17B10KDM4EMAPK1BRAF
SCHEMBL11276414 0.80 CARM1 (0.36) ALDH1A1HSD17B10KDM4ECARM1PRMT6
SCHEMBL11282320 0.80 FPR2 (0.35) ALDH1A1KDM4EMAPK8MAPK10
SCHEMBL11283711 0.77 KDM4E (0.41) ALDH1A1KDM4EGAAKMT2AMEN1
SCHEMBL11267834 0.74 SCN9A (0.38) KMT2AMEN1

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-4338326-A PESTICIDES UNION CARBIDE CORPORATION (US) 1982-07-06 US disclosed