SCHEMBL31566422

SCHEMBL31566422

COC(=O)c1ccc(F)cc1OC1COC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.45
SLC6A3 Q01959 2/20 0.41
SLC6A4 P31645 1/20 0.41
GRM5 P41594 1/20 0.39
PDE4B Q07343 2/20 0.39
AKR1A1 P14550 1/20 0.38
AKR1B1 P15121 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
HTR3A P46098 1/20 0.38
KAT2B Q92831 1/20 0.37
BAZ2B Q9UIF8 1/20 0.37
PDE5A O76074 1/20 0.37

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
SCHEMBL31156118 0.83 NR4A2 (0.45) SLC6A3SLC6A4PDE4BKMT2A
SCHEMBL3165795 0.80 KMT2A (0.52) FFAR4SMN1; SMN2KMT2AMEN1
SCHEMBL10046969 0.80 PDE5A (0.44) SLC6A3PDE4BKMT2AKAT2BBAZ2B
SCHEMBL20231757 0.78 FFAR4 (0.50) FFAR4SLC6A3SLC6A4NPC1RAB9A
SCHEMBL1146881 0.77 FFAR4 (0.55) FFAR4SLC6A3SLC6A4NPC1RAB9A
SCHEMBL4212242 0.77 FFAR4 (0.53) FFAR4SLC6A3SLC6A4NPC1RAB9A
SCHEMBL29189633 0.77 KDM4E (0.47) PDE4BPDE5ACA12CA1CA2
SCHEMBL562065 0.76 TSHR (0.50) FFAR4SLC6A3SLC6A4SMN1; SMN2KMT2A
SCHEMBL24468016 0.75 PDE5A (0.44) FFAR4SLC6A3SLC6A4PDE4BSMN1; SMN2
SCHEMBL29629559 0.75 PDE5A (0.44) FFAR4SLC6A3SLC6A4PDE4BSMN1; SMN2

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-119841803-A Amide substituted heteroaryl compounds, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2025-04-18 CN disclosed