SCHEMBL29634684

SCHEMBL29634684

OB(O)c1cccc2c(-c3cccc4ccccc34)cccc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
CYP2A6 P11509 2/20 0.41
CYP1A2 P05177 1/20 0.41
ALOX5 P09917 1/20 0.41
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
DHFR P00374 1/20 0.39
MAPT P10636 1/20 0.38
GPR84 Q9NQS5 1/20 0.38
PTPN1 P18031 1/20 0.38
ALPL P05186 1/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL29952492 0.94 AKR1C3 (0.41) ALDH1A1CYP2A6CYP1A2ALOX5KDM4E
SCHEMBL26813563 0.94 AKR1C3 (0.41) ALDH1A1CYP2A6CYP1A2ALOX5KDM4E
SCHEMBL590641 0.92 ALDH1A1 (0.41) ALDH1A1CYP2A6CYP1A2ALOX5KDM4E
SCHEMBL30390526 0.92 ALDH1A1 (0.41) ALDH1A1CYP2A6CYP1A2ALOX5KDM4E
SCHEMBL29410295 0.92 ALDH1A1 (0.41) ALDH1A1CYP2A6CYP1A2ALOX5KDM4E
SCHEMBL29391558 0.87 ALDH1A1 (0.48) ALDH1A1CYP2A6CYP1A2HPGDTSHR
SCHEMBL5601608 0.87 ALDH1A1 (0.48) ALDH1A1CYP2A6CYP1A2HPGDTSHR
SCHEMBL24488 0.87 ALDH1A1 (0.48) ALDH1A1CYP2A6CYP1A2HPGDTSHR
Boric Acid SCHEMBL28565435 0.84 CYP1A2 (0.50) ALDH1A1CYP2A6CYP1A2ALOX5KDM4E
SCHEMBL1813260 0.83 HPRT1 (0.58) ALDH1A1CYP2A6CYP1A2HPGDTSHR

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
CN-109111411-B Light extraction layer material and application thereof 湖北尚赛光电材料有限公司 2022-06-14 CN disclosed