SCHEMBL11266232

SCHEMBL11266232

CC(C)C(C(=O)OCc1cccc(Oc2cccc3ccccc23)n1)C(C)C=C(Cl)Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 4/20 0.33
HPGD P15428 3/20 0.33
ESRRA P11474 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HSD17B10 Q99714 2/20 0.33
PGR P06401 1/20 0.33
GAA P10253 1/20 0.33
PTGS1 P23219 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
SIRT3 Q9NTG7 1/20 0.32
NR2E1 Q9Y466 1/20 0.32
TSHR P16473 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ATM Q13315 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
SCHEMBL11264170 0.91 CARM1 (0.34) CARM1PRMT6ALDH1A1KDM4EHPGD
SCHEMBL11276415 0.85 CARM1 (0.35) CARM1PRMT6ALDH1A1KDM4EHPGD
SCHEMBL11267887 0.82 SCN9A (0.38) KMT2A
SCHEMBL11273182 0.81 P2RX3 (0.38) KDM4EGAAKMT2A
SCHEMBL11279540 0.81 P2RX3 (0.43)
SCHEMBL11284589 0.81 P2RX3 (0.43)
SCHEMBL11282323 0.80 P2RX3 (0.35) ALDH1A1HPGDGAAMAPK1TSHR
SCHEMBL11269505 0.79 SIRT2 (0.31) CARM1PRMT6ESRRASIRT2SIRT1
SCHEMBL11277723 0.79 CARM1 (0.31) CARM1PRMT6ESRRA
SCHEMBL11275035 0.79 P2RX3 (0.35) ALDH1A1KDM4EMAPK1

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