SCHEMBL22256100

SCHEMBL22256100

c1ccc(-c2ccc3ccc4c(-c5ccc6c(c5)oc5cc7c8ccccc8c8ccccc8c7cc56)ccc5ccc2c3c54)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 4/20 0.35
MAOB P27338 2/20 0.35
RAB9A P51151 1/20 0.35
AHR P35869 4/20 0.34
CYP1A2 P05177 4/20 0.34
MAOA P21397 3/20 0.34
CYP1A1 P04798 2/20 0.34
PGR P06401 2/20 0.34
AKR1B1 P15121 2/20 0.34
FYN P06241 2/20 0.34
MAPK3 P27361 1/20 0.34
PAX8 Q06710 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
CA12 O43570 1/20 0.34
ALDH2 P05091 1/20 0.34
HSD17B3 P37058 1/20 0.34
SORD Q00796 1/20 0.34
CA9 Q16790 1/20 0.34
HPGD P15428 3/20 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
SCHEMBL22155604 0.95 AHR (0.39) ALDH1A1KDM4EMAOBRAB9AAHR
SCHEMBL22255985 0.93 AHR (0.38) ALDH1A1KDM4EMAOBRAB9AAHR
SCHEMBL22255945 0.93 PGR (0.35) ALDH1A1KDM4EMAOBRAB9AAHR
SCHEMBL22256096 0.93 PGR (0.38) ALDH1A1KDM4EAHRCYP1A2MAOA
SCHEMBL25742346 0.90 AHR (0.44) ALDH1A1KDM4EMAOBRAB9AAHR
SCHEMBL12380088 0.90 AHR (0.44) ALDH1A1KDM4EMAOBRAB9AAHR
SCHEMBL22255942 0.89 PLA2G2A (0.39) ALDH1A1KDM4ERAB9AAHRCYP1A2
SCHEMBL22255959 0.88 AHR (0.39) ALDH1A1KDM4EMAOBRAB9AAHR
SCHEMBL27127661 0.88 AHR (0.40) ALDH1A1KDM4EMAOBRAB9AAHR
SCHEMBL27127642 0.87 AHR (0.41) ALDH1A1KDM4EMAOBRAB9AAHR

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-20200235320-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME LUMINESCENCE TECHNOLOGY CORPORATION (TW) 2020-07-23 US disclosed