SCHEMBL28078332

SCHEMBL28078332

CCc1oc2cc(O)ccc2c1C=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 4/20 0.58
HSD17B3 P37058 5/20 0.54
TTR P02766 2/20 0.53
EYA3 Q99504 2/20 0.52
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 3/20 0.49
LMNA P02545 2/20 0.49
HSD17B10 Q99714 2/20 0.49
GAA P10253 2/20 0.49
CA12 O43570 1/20 0.49
CYP1A2 P05177 1/20 0.49
GLA P06280 1/20 0.49
CYP2C9 P11712 1/20 0.49
AKR1B1 P15121 1/20 0.49
HPGD P15428 1/20 0.49
UGT1A1 P22309 1/20 0.49
MAOB P27338 1/20 0.49
CASP1 P29466 1/20 0.49
KDR P35968 1/20 0.49
CASP7 P55210 1/20 0.49

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
SCHEMBL719026 0.78 EYA3 (0.48) SLC22A12TTREYA3ALDH1A1KDM4E
SCHEMBL14176730 0.78 KDM4E (0.57) HSD17B3ALDH1A1KDM4ELMNAHSD17B10
SCHEMBL1287413 0.74 SLC22A12 (1.00) SLC22A12HSD17B3TTREYA3ALDH1A1
SCHEMBL28448917 0.73 MEN1 (0.52) SLC22A12EYA3ALDH1A1KDM4ELMNA
SCHEMBL5240867 0.73 SLC22A12 (0.68) SLC22A12HSD17B3TTREYA3ALDH1A1
SCHEMBL28002580 0.72 KDM4E (0.62) HSD17B3ALDH1A1KDM4ELMNAHSD17B10
SCHEMBL5242021 0.72 SLC22A12 (0.67) SLC22A12HSD17B3TTREYA3ALDH1A1
SCHEMBL28383872 0.71 HSD17B3 (0.73) HSD17B3ALDH1A1KDM4ELMNAHSD17B10
SCHEMBL14396891 0.71 ESR1 (0.55) HSD17B3ALDH1A1KDM4ELMNAHSD17B10
SCHEMBL3762732 0.70 HSD17B3 (1.00) HSD17B3ALDH1A1KDM4ELMNAHSD17B10

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-105646414-A Synthetic method of 6-hydroxyl-2-methylbenzofuran type compound 和记黄埔医药(苏州)有限公司 2016-06-08 CN disclosed