SCHEMBL11264170

SCHEMBL11264170

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

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
TSHR P16473 1/20 0.33
ESRRA P11474 1/20 0.32
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 3/20 0.32
HPGD P15428 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
HSD17B10 Q99714 2/20 0.31
PGR P06401 1/20 0.31
GAA P10253 1/20 0.31
PTGS1 P23219 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
SIRT3 Q9NTG7 1/20 0.31
NR2E1 Q9Y466 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL11266232 0.91 CARM1 (0.36) CARM1PRMT6TSHRESRRAALDH1A1
SCHEMBL11279541 0.86 P2RX3 (0.34) ALDH1A1KDM4ETDP1KMT2AL3MBTL1
SCHEMBL11271875 0.83 SCN9A (0.37) KMT2A
SCHEMBL11282335 0.82 P2RX3 (0.41)
SCHEMBL11276415 0.82 CARM1 (0.35) CARM1PRMT6TSHRESRRAALDH1A1
SCHEMBL11275943 0.82 P2RX3 (0.34) TSHRALDH1A1HPGDGAAMAPK1
SCHEMBL11274600 0.81 CARM1 (0.31) CARM1PRMT6
SCHEMBL11275520 0.81 CARM1 (0.31) CARM1PRMT6
SCHEMBL11277217 0.75 TOP2A (0.36) TSHRKDM4EGAA
SCHEMBL11267887 0.74 SCN9A (0.38) KMT2A

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