SCHEMBL14003993

SCHEMBL14003993

CCCc1ccc(N(c2ccccc2)c2ccc(/C=C/c3ccc(-c4ccc(/C=C/c5ccccc5)cc4)cc3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 2/20 0.47
CTDSP1 Q9GZU7 1/20 0.41
APP P05067 1/20 0.41
INSR P06213 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MITF O75030 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
KLF5 Q13887 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
TRPM8 Q7Z2W7 2/20 0.37
LTB4R2 Q9NPC1 2/20 0.37
CYP24A1 Q07973 1/20 0.37
CDC25B P30305 1/20 0.37
DUSP3 P51452 1/20 0.37
MCL1 Q07820 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL14196541 0.97 RELA (0.43) RELACTDSP1APPINSRKDM4E
SCHEMBL14003991 0.95 RELA (0.52) RELACTDSP1APPKDM4EALDH1A1
SCHEMBL14462152 0.90 RELA (0.44) RELACTDSP1APPINSRKDM4E
SCHEMBL14727238 0.89 HSD11B1 (0.47) RELACTDSP1INSRKDM4EALDH1A1
SCHEMBL18680230 0.89 MAOB (0.45) RELACTDSP1APPKDM4EALDH1A1
SCHEMBL5688863 0.88 TAAR1 (0.44) KDM4EALDH1A1HPGDSMN1; SMN2LTB4R2
SCHEMBL15681404 0.88 TAAR1 (0.44) KDM4EALDH1A1HPGDSMN1; SMN2LTB4R2
SCHEMBL14727249 0.87 MAOB (0.47) RELACTDSP1APPKDM4EMITF
SCHEMBL14461270 0.87 TAAR1 (0.47) KDM4EALDH1A1HPGDSMN1; SMN2LTB4R2
SCHEMBL11887469 0.87 TAAR1 (0.47) KDM4EALDH1A1HPGDSMN1; SMN2LTB4R2

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
US-7455916-B2 Organic electroluminescent element FUJI XEROX CO., LTD. (JP) 2008-11-25 US disclosed
US-7455916-B2 Organic electroluminescent element FUJI XEROX CO., LTD. (JP) 2008-11-25 US disclosed