SCHEMBL16477706

SCHEMBL16477706

c1cc(-c2c3ccccc3c(-c3cccc(-c4c5oc6ccccc6c5cc5c4oc4ccccc45)c3)c3ccccc23)cc(-c2c3ccccc3cc3c2oc2ccccc23)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.40
PIK3CD O00329 1/20 0.38
XRCC6 P12956 1/20 0.38
XRCC5 P13010 1/20 0.38
PIK3CA P42336 1/20 0.38
PRKDC P78527 1/20 0.38
ALOX5 P09917 3/20 0.38
PLA2G2A P14555 2/20 0.35
PLA2G4A P47712 2/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
ADORA2A P29274 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
NPC1 O15118 1/20 0.33
CA12 O43570 1/20 0.33
TNKS O95271 1/20 0.33
CA1 P00915 1/20 0.33

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
SCHEMBL10122695 0.97 AHR (0.41) AHRPIK3CDXRCC6XRCC5PIK3CA
SCHEMBL10122581 0.94 PIK3CD (0.43) AHRPIK3CDXRCC6XRCC5PIK3CA
SCHEMBL10122591 0.93 PLA2G2A (0.40) AHRPIK3CDXRCC6XRCC5PIK3CA
SCHEMBL10122590 0.92 PIK3CD (0.42) AHRPIK3CDXRCC6XRCC5PIK3CA
SCHEMBL15498111 0.91 AHR (0.46) AHRALOX5PLA2G2APLA2G4AMEN1
SCHEMBL10122580 0.90 GPR84 (0.39) AHRPIK3CDXRCC6XRCC5PIK3CA
SCHEMBL10122565 0.90 PLA2G2A (0.42) AHRPIK3CDXRCC6XRCC5PIK3CA
SCHEMBL24238464 0.90 PLA2G2A (0.42) AHRPIK3CDXRCC6XRCC5PIK3CA
SCHEMBL10122583 0.89 ALOX5 (0.40) AHRPIK3CDXRCC6XRCC5PIK3CA
SCHEMBL10122586 0.89 ALOX5 (0.37) AHRPIK3CDXRCC6XRCC5PIK3CA

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-8629430-B2 Anthracene derivative and organic electroluminescent element using the same IDEMITSU KOSAN CO., LTD. (JP) 2014-01-14 US disclosed
US-8629430-B2 Anthracene derivative and organic electroluminescent element using the same IDEMITSU KOSAN CO., LTD. (JP) 2014-01-14 US disclosed