SCHEMBL30176381

SCHEMBL30176381

COc1ccc2[nH]c(C(C)C)cc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.61
PDGFRB P09619 2/20 0.54
PDGFRA P16234 2/20 0.54
LOXL2 Q9Y4K0 1/20 0.54
KDM4E B2RXH2 5/20 0.53
MAPT P10636 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
CA2 P00918 1/20 0.51
ALDH1A1 P00352 4/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
TSHR P16473 2/20 0.48
GFER P55789 1/20 0.48
HSD17B10 Q99714 1/20 0.48
FLT3 P36888 5/20 0.48
CYP1A2 P05177 2/20 0.47
CYP2A6 P11509 1/20 0.47

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
SCHEMBL12356941 1.00 AXL (0.61) AXLPDGFRBPDGFRALOXL2KDM4E
SCHEMBL10435155 0.86 AXL (0.57) AXLPDGFRBPDGFRALOXL2KDM4E
SCHEMBL4568032 0.86 CA2 (0.51) AXLPDGFRBPDGFRAKDM4EMAPT
SCHEMBL8760755 0.83 LOXL2 (0.56) AXLPDGFRBPDGFRALOXL2KDM4E
SCHEMBL8761856 0.81 AXL (0.56) AXLPDGFRBPDGFRALOXL2KDM4E
SCHEMBL6859892 0.81 PTGS2 (0.57) AXLPDGFRBPDGFRAKDM4EMAPT
SCHEMBL12180321 0.80 KDM4E (0.50) AXLKDM4EMAPTMEN1KMT2A
SCHEMBL24075737 0.79 HTR1B (0.42) PDGFRBPDGFRAKDM4EMAPTNPC1
SCHEMBL28391028 0.79 KDM4E (0.57) AXLPDGFRBPDGFRALOXL2KDM4E
SCHEMBL16756014 0.79 AXL (0.53) AXLPDGFRBPDGFRALOXL2KDM4E

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
EP-4126817-A1 SUBSTITUTED 5-HYDROXYINDOLE COMPOUNDS AS MODULATORS OF ALPHA-1 ANTITRYPSIN Vertex Pharmaceuticals Incorporated (US) 2023-02-08 EP disclosed