SCHEMBL28577943

SCHEMBL28577943

COc1ccc2cc3c(C)cc(=O)oc3cc2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.72
ALDH1A1 P00352 9/20 0.72
HPGD P15428 6/20 0.72
HSD17B10 Q99714 5/20 0.72
DYRK1A Q13627 1/20 0.67
CYP2A6 P11509 1/20 0.58
CA12 O43570 2/20 0.55
CA1 P00915 2/20 0.55
CA3 P07451 2/20 0.55
CA4 P22748 2/20 0.55
CA5A P35218 2/20 0.55
CA7 P43166 2/20 0.55
CA9 Q16790 2/20 0.55
CA14 Q9ULX7 2/20 0.55
AKR1B1 P15121 1/20 0.55
CA6 P23280 1/20 0.55
NPC1 O15118 3/20 0.54
MEN1 O00255 2/20 0.54
RAB9A P51151 2/20 0.54
KMT2A Q03164 2/20 0.54

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
Hymecromone Methyl Ether SCHEMBL314248 0.84 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10CA12
Hymecromone Methyl Ether SCHEMBL31103478 0.84 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10CA12
SCHEMBL7115071 0.84 ALDH1A1 (1.00) KDM4EALDH1A1HPGDHSD17B10DYRK1A
SCHEMBL5341628 0.84 CYP2A6 (0.56) KDM4EALDH1A1HPGDHSD17B10DYRK1A
SCHEMBL30435464 0.80 DYRK1A (1.00) KDM4EALDH1A1HPGDHSD17B10DYRK1A
SCHEMBL29019847 0.80 DYRK1A (1.00) KDM4EALDH1A1HPGDHSD17B10DYRK1A
SCHEMBL20329619 0.77 NPC1 (0.68) KDM4EALDH1A1HPGDHSD17B10CYP2A6
SCHEMBL20329616 0.77 KDM4E (0.78) KDM4EALDH1A1HPGDHSD17B10DYRK1A
SCHEMBL20329731 0.77 KDM4E (0.78) KDM4EALDH1A1HPGDHSD17B10DYRK1A
SCHEMBL20329733 0.77 NPC1 (0.68) KDM4EALDH1A1HPGDHSD17B10CYP2A6

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-113025193-A Radical polymerizable varnish for coil 昭和电工株式会社 2021-06-25 CN disclosed