SCHEMBL8769127

SCHEMBL8769127

CCCCCC(C)(C)Nc1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
HPGD P15428 4/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
EPHX1 P07099 1/20 0.42
CACNA2D1 P54289 1/20 0.41
CNR2 P34972 4/20 0.41
CNR1 P21554 3/20 0.41
ALDH1A1 P00352 4/20 0.40
TSHR P16473 3/20 0.40
HSD17B10 Q99714 3/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
CA12 O43570 2/20 0.39
CA4 P22748 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
KEAP1 Q14145 1/20 0.39

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
SCHEMBL18351233 0.77 ALDH1A1 (0.47) KDM4EHPGDLMNAEPHX1ALDH1A1
SCHEMBL4739865 0.77 CCR4 (0.44) KDM4EHPGDLMNAKMT2AEPHX1
SCHEMBL871745 0.77 CDC25B (0.42) KDM4EHPGDLMNAKMT2AL3MBTL1
SCHEMBL1605213 0.76 KDM4E (0.42) KDM4EHPGDLMNAKMT2AL3MBTL1
SCHEMBL38590 0.75 CDC25B (0.50) KDM4EHPGDLMNAKMT2AL3MBTL1
SCHEMBL2622223 0.74 IDO1 (0.55) KDM4EHPGDLMNAALDH1A1TSHR
SCHEMBL31303189 0.74 IDO1 (0.55) KDM4EHPGDLMNAALDH1A1TSHR
SCHEMBL3766930 0.74 CDC25B (0.49) KDM4EHPGDLMNAKMT2AL3MBTL1
SCHEMBL2234377 0.73 KDM4E (0.70) KDM4EHPGDLMNAKMT2AL3MBTL1
SCHEMBL2127595 0.73 KDM4E (0.39) KDM4EHPGDLMNAKMT2ACNR2

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
EP-0734432-B1 SYNTHETIC ESTER LUBRICANT STABILIZER COMPOSITION GOODRICH CO B F (US) 1997-09-03 EP disclosed