SCHEMBL5572855

SCHEMBL5572855

CCOc1ccc(-c2ccc(C=Cc3ccccc3)cc2)cc1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.89
RAB9A P51151 2/20 0.60
CYP1A2 P05177 2/20 0.60
CYP3A4 P08684 2/20 0.60
MTOR P42345 2/20 0.60
THPO P40225 1/20 0.60
HIF1A Q16665 1/20 0.60
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 2/20 0.58
GMNN O75496 1/20 0.58
LMNA P02545 1/20 0.58
BLM P54132 1/20 0.58
PMP22 Q01453 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
MAPT P10636 2/20 0.58
KMT2A Q03164 2/20 0.58
NPC1 O15118 2/20 0.58
MAOA P21397 1/20 0.58
MAOB P27338 1/20 0.58
ESR1 P03372 2/20 0.57

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
SCHEMBL436231 0.94 RELA (1.00) RELARAB9ACYP1A2CYP3A4MTOR
SCHEMBL5496245 0.94 RELA (1.00) RELARAB9ACYP1A2CYP3A4MTOR
SCHEMBL13267808 0.92 RELA (0.74) RELARAB9AKDM4EALDH1A1LMNA
SCHEMBL2622564 0.87 RELA (0.85) RELARAB9ACYP1A2CYP3A4MTOR
SCHEMBL10623834 0.86 RELA (0.83) RELARAB9ACYP1A2CYP3A4THPO
SCHEMBL10623831 0.86 RELA (0.83) RELARAB9ACYP1A2CYP3A4THPO
Diphenylamine SCHEMBL10866114 0.84 RELA (0.80) RELARAB9ACYP1A2CYP3A4MTOR
SCHEMBL9152440 0.84 LTA4H (0.68) RELARAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL30167681 0.84 LTA4H (0.68) RELARAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL12726668 0.84 LTA4H (0.68) RELARAB9AKDM4EALDH1A1SMN1; SMN2

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-7220334-B2 Method of manufacturing microdevice having laminated structure KAWAMURA INSTITUTE OF CHEMICAL RESEARCH (JP) 2007-05-22 US disclosed