SCHEMBL7029004

SCHEMBL7029004

CCC(CC)(c1cc2ccccc2[nH]1)c1cc2ccccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.47
AHR P35869 2/20 0.46
LOXL2 Q9Y4K0 1/20 0.44
CYP2A6 P11509 1/20 0.44
AOC3 Q16853 2/20 0.44
BRD4 O60885 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HPGD P15428 3/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CASP3 P42574 1/20 0.41
KMT2A Q03164 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41

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
SCHEMBL18130396 0.85 KDM4E (0.45) KDM4EALDH1A1MAPTAHRLOXL2
SCHEMBL12045263 0.83 KDM4E (0.46) KDM4EALDH1A1MAPTAHRLOXL2
SCHEMBL8402930 0.81 AHR (0.51) KDM4EALDH1A1MAPTAHRLOXL2
SCHEMBL22328554 0.78 KDM4E (0.45) KDM4EALDH1A1MAPTAHRLOXL2
SCHEMBL1685392 0.78 AHR (0.50) KDM4EALDH1A1MAPTAHRLOXL2
SCHEMBL399327 0.78 AHR (0.50) KDM4EALDH1A1MAPTAHRLOXL2
SCHEMBL30435112 0.78 AHR (0.50) KDM4EALDH1A1MAPTAHRLOXL2
SCHEMBL28864005 0.77 AHR (0.53) KDM4EALDH1A1MAPTAHRLOXL2
SCHEMBL18510248 0.77 KDM4E (0.44) KDM4EALDH1A1MAPTAHRLOXL2
SCHEMBL7022968 0.75 AHR (0.51) KDM4EALDH1A1MAPTAHRLOXL2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1328513-A2 DIINDOLYLMETHANE AND C-SUBSTITUTED DIINDOLYLMETHANE COMPOSITIONS AND METHODS FOR THE TREATMENT OF MULTIPLE CANCERS The Texas A & M University System (US) 2003-07-23 EP claimed
WO-2002028832-A2 DIINDOLYLMETHANE AND C-SUBSTITUTED DIINDOLYLMETHANE COMPOSITIONS AND METHODS FOR THE TREATMENT OF MULTIPLE CANCERS THE TEXAS A & M UNIVERSITY SYSTEM (US) 2002-04-11 WO claimed