SCHEMBL29286368

SCHEMBL29286368

COc1cc(CCc2cc(O)c(O)c(OC)c2)ccc1O

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.81
PTPN1 P18031 2/20 0.75
TSHR P16473 3/20 0.74
TAAR1 Q96RJ0 2/20 0.74
MAPK1 P28482 1/20 0.74
ADRB2 P07550 2/20 0.73
LMNA P02545 2/20 0.72
GLA P06280 1/20 0.72
NOS2 P35228 1/20 0.67
TUBB4A P04350 1/20 0.63
TUBB P07437 1/20 0.63
TUBA3C P0DPH7 1/20 0.63
TUBA1B P68363 1/20 0.63
TUBA4A P68366 1/20 0.63
TUBB4B P68371 1/20 0.63
TUBB3 Q13509 1/20 0.63
TUBB2A Q13885 1/20 0.63
TUBB8 Q3ZCM7 1/20 0.63
TUBA3E Q6PEY2 1/20 0.63
TUBA1A Q71U36 1/20 0.63

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
Moscatilin SCHEMBL18563068 0.95 AKR1B1 (0.83) AKR1B1PTPN1TSHRTAAR1MAPK1
Moscatilin SCHEMBL29449676 0.95 AKR1B1 (0.83) AKR1B1PTPN1TSHRTAAR1MAPK1
SCHEMBL17780116 0.91 PTPN1 (0.82) AKR1B1PTPN1TSHRTAAR1MAPK1
SCHEMBL29604390 0.91 PTPN1 (0.82) AKR1B1PTPN1TSHRTAAR1MAPK1
SCHEMBL30419922 0.89 AKR1B1 (0.75) AKR1B1PTPN1TSHRTAAR1MAPK1
SCHEMBL29740697 0.89 PTPN1 (0.79) AKR1B1PTPN1TSHRTAAR1MAPK1
SCHEMBL30873093 0.87 TUBB4A (0.75) AKR1B1PTPN1TSHRTAAR1MAPK1
SCHEMBL27183302 0.87 TUBB4A (0.75) AKR1B1PTPN1TSHRTAAR1MAPK1
SCHEMBL17263518 0.87 AKR1B1 (0.76) AKR1B1PTPN1TSHRTAAR1MAPK1
SCHEMBL18546197 0.86 TUBB4A (0.73) AKR1B1PTPN1TSHRTAAR1MAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113262271-A Application of extracts of dendrobium candidum, dendrobium candidum and dendrobium candidum in serving as alpha-glucosidase inhibitor 中国热带农业科学院热带生物技术研究所 2021-08-17 CN claimed
CN-113262271-A Application of extracts of dendrobium candidum, dendrobium candidum and dendrobium candidum in serving as alpha-glucosidase inhibitor 中国热带农业科学院热带生物技术研究所 2021-08-17 CN disclosed