SCHEMBL16660604

SCHEMBL16660604

COc1ccc(C#Cc2c(C(=O)O)ccc3c2C(c2ccc(OC)cc2)(c2ccc(OC)cc2)c2cc(OC)ccc2-3)cc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 12/20 0.61
SMN1; SMN2 Q16637 1/20 0.42
RARA P10276 1/20 0.38
RARB P10826 1/20 0.38
RARG P13631 1/20 0.38
AKR1C3 P42330 2/20 0.38
AKR1C2 P52895 2/20 0.38
FFAR1 O14842 1/20 0.36
APP P05067 1/20 0.36
HAO1 Q9UJM8 2/20 0.36

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
SCHEMBL16660573 0.82 PDE4D (0.66) PDE4DRARARARBRARGAKR1C2
SCHEMBL16660683 0.81 PDE4D (0.84) PDE4DAPP
SCHEMBL16660642 0.81 PDE4D (0.83) PDE4DAPP
SCHEMBL27936863 0.76 PDE4D (0.53) PDE4DSMN1; SMN2AKR1C2
SCHEMBL16660641 0.74 PDE4D (0.71) PDE4D
SCHEMBL16660640 0.70 PDE4D (1.00) PDE4DAPP
SCHEMBL16660570 0.68 PDE4D (0.64) PDE4DFFAR1
SCHEMBL16660681 0.66 PDE4D (0.85) PDE4DAPP
SCHEMBL14124721 0.65 SMN1; SMN2 (0.49) SMN1; SMN2AKR1C3
SCHEMBL29755754 0.64 PDK2 (0.51) SMN1; SMN2APP

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
WO-2015055116-A1 SELAGINELLA PULVINATA EXTRACTIVE AND PREPARATION METHOD AND APPLICATION THEREOF 中山大学 2015-04-23 WO disclosed