SCHEMBL11268086

SCHEMBL11268086

COC(=O)C(c1cc2ccccc2c(Oc2ccccc2)n1)(C(C)C)C(C)C=C(Cl)Cl

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
NR2E3 Q9Y5X4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
TOP2A P11388 1/20 0.32
TOP2B Q02880 1/20 0.32
MAPK8 P45983 1/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 1/20 0.32
EGLN2 Q96KS0 4/20 0.32
EGLN1 Q9GZT9 2/20 0.32
TRPV1 Q8NER1 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
TACR3 P29371 2/20 0.31
CDC25B P30305 1/20 0.31
PTGS1 P23219 1/20 0.31
FFAR1 O14842 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
SCHEMBL11283711 0.84 KDM4E (0.41) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL11266024 0.82 ALDH1A1 (0.35) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL11269103 0.78 PLA2G10 (0.39) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL11266217 0.74 ALDH1A1 (0.36) MEN1KMT2AKDM4EALDH1A1MAPK8
SCHEMBL11299884 0.74 MEN1 (0.33) MEN1KMT2ANR2E3MAPK8LMNA
SCHEMBL11277216 0.74 KDM4E (0.38) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL11284587 0.72 P2RX3 (0.40)
SCHEMBL11279536 0.72 P2RX3 (0.39) MEN1KMT2AKDM4EL3MBTL1
SCHEMBL11275031 0.71 FPR2 (0.36) KDM4EALDH1A1POLBLMNAHTT
SCHEMBL11267883 0.71 SCN9A (0.38) MEN1KMT2APOLB

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