SCHEMBL30997265

SCHEMBL30997265

COc1cc2ccc(=O)[nH]c2cc1OCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 2/20 0.66
SRD5A2 P31213 2/20 0.66
CTSV O60911 2/20 0.59
CTSL P07711 2/20 0.59
ACHE P22303 1/20 0.54
MAOB P27338 1/20 0.54
KMT2A Q03164 2/20 0.47
RXFP1 Q9HBX9 2/20 0.47
POLB P06746 1/20 0.47
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
FLT3 P36888 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45

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
SCHEMBL28820805 1.00 SRD5A1 (0.66) SRD5A1SRD5A2CTSVCTSLACHE
SCHEMBL1055214 0.83 GRIN2D (0.53) RXFP1POLBHPGDSMN1; SMN2
SCHEMBL26604942 0.83 ACHE (0.52) SRD5A1SRD5A2CTSVCTSLACHE
SCHEMBL1731549 0.82 SRD5A1 (0.63) SRD5A1SRD5A2CTSVCTSLKMT2A
SCHEMBL12047200 0.81 CTSV (0.68) SRD5A1SRD5A2CTSVCTSLKMT2A
SCHEMBL187757 0.80 SRD5A1 (0.60) SRD5A1SRD5A2CTSVCTSLPDGFRB
SCHEMBL1777085 0.80 SRD5A1 (0.60) SRD5A1SRD5A2CTSVCTSLPDGFRB
SCHEMBL5828319 0.80 SRD5A1 (0.67) SRD5A1SRD5A2CTSVCTSLKMT2A
SCHEMBL3243291 0.80 SRD5A2 (1.00) SRD5A1SRD5A2CTSVCTSLACHE
SCHEMBL7169748 0.80 SRD5A2 (1.00) SRD5A1SRD5A2CTSVCTSLACHE

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-118221577-A 2-Phenoxyquinoline derivative, and preparation method and application thereof 湖南中医药大学 2024-06-21 CN disclosed