SCHEMBL25035692

SCHEMBL25035692

Bc1c(B)c(B)c2c(-c3ccc4oc5c6ccccc6ccc5c4c3)c3c(B)c(B)c(B)c(B)c3c(-c3cccc(-c4cccc5c4C(C)(C)c4ccccc4-5)c3)c2c1B

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
TSHR P16473 2/20 0.31
HSD17B10 Q99714 2/20 0.31
ALOX15 P16050 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
CYP1A1 P04798 5/20 0.30
CYP1A2 P05177 5/20 0.30
CYP1B1 Q16678 5/20 0.30
ABCC1 P33527 2/20 0.30
ABCG2 Q9UNQ0 2/20 0.30
PDE5A O76074 1/20 0.30
TP53 P04637 1/20 0.30
ABCB1 P08183 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL24908431 0.95 ARSA (0.30) ALOX5KDM4EALDH1A1MAPTARSA
SCHEMBL24908341 0.94 ARSA (0.31) ALOX5KDM4EALDH1A1MAPTHPGD
SCHEMBL24908321 0.91 KDM4E (0.31) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL24908350 0.91 ARSA (0.32) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL24908236 0.91 ALOX5 (0.32) ALOX5KDM4EALDH1A1MAPTHPGD
SCHEMBL25006420 0.90 ABCG2 (0.32) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL25035905 0.89 PRKDC (0.32) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL25035773 0.89 ARSA (0.34) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL24908338 0.86 PRKDC (0.31) KDM4EALDH1A1MAPTPRKDCARSA
SCHEMBL24908244 0.86 ARSA (0.32) KDM4EALDH1A1MAPTARSACDC25A

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-20230047477-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS IDEMITSU KOSAN CO.,LTD. (JP) 2023-02-16 US disclosed