SCHEMBL21454561

SCHEMBL21454561

c1ccc2cc3c(cc2c1)oc1cc2oc4cc5ccccc5cc4c2cc13

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 4/20 0.45
XRCC6 P12956 1/20 0.45
XRCC5 P13010 1/20 0.45
AHR P35869 3/20 0.43
MAOA P21397 2/20 0.43
ALDH2 P05091 1/20 0.39
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 5/20 0.39
MAPT P10636 5/20 0.39
HPGD P15428 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 4/20 0.39
HIF1A Q16665 1/20 0.39
CYP1B1 Q16678 1/20 0.39
NQO1 P15559 1/20 0.38
ELANE P08246 1/20 0.37

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
SCHEMBL29867995 0.95 AHR (0.46) PRKDCXRCC6XRCC5AHRMAOA
SCHEMBL903595 0.95 AHR (0.46) PRKDCXRCC6XRCC5AHRMAOA
SCHEMBL16807597 0.92 AHR (0.45) PRKDCXRCC6XRCC5AHRMAOA
SCHEMBL13085338 0.90 AHR (0.43) PRKDCXRCC6XRCC5AHRMAOA
SCHEMBL16807732 0.88 AHR (0.42) PRKDCXRCC6XRCC5AHRMAOA
SCHEMBL5474020 0.86 AHR (0.61) AHRMAOAALDH1A1KDM4EMAPT
SCHEMBL16807682 0.84 AHR (0.59) AHRMAOAALDH1A1KDM4EMAPT
SCHEMBL903603 0.84 CYP2A6 (0.41) PRKDCXRCC6XRCC5ALDH1A1KDM4E
SCHEMBL17464182 0.82 AHR (0.57) AHRMAOAALDH1A1KDM4EMAPT
SCHEMBL19636236 0.82 CYP1A2 (0.46) PRKDCXRCC6XRCC5AHRMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210336149-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2021-10-28 US disclosed
WO-2021025163-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE USING SAME 出光興産株式会社 2021-02-11 WO disclosed
US-20210028365-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPLIANCE IDEMITSU KOSAN CO.,LTD. (JP) 2021-01-28 US disclosed
WO-2019194298-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE 出光興産株式会社 2019-10-10 WO disclosed