SCHEMBL24439601

SCHEMBL24439601

COC(=O)[C@H]1CCC[C@H](Oc2ccc(-c3sccc3C=O)cc2F)C1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 5/20 0.38
KMT2A Q03164 2/20 0.36
ERN1 O75460 2/20 0.35
PDE4D Q08499 7/20 0.34
PDE4B Q07343 6/20 0.34
PDE4A P27815 5/20 0.34
PDE4C Q08493 5/20 0.34
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL29672305 0.89 FFAR4 (0.36) FFAR4ERN1PDE4DPDE4BPDE4A
SCHEMBL24439481 0.87 FFAR4 (0.38) FFAR4KMT2APDE4DPDE4BPDE4A
SCHEMBL29517550 0.87 FFAR4 (0.38) FFAR4KMT2APDE4DPDE4BPDE4A
SCHEMBL24439602 0.83 FFAR4 (0.37) FFAR4ERN1PDE4DPDE4BPDE4A
SCHEMBL24440689 0.79 LPAR1 (0.41) KMT2APDE4DPDE4BPDE4APDE4C
SCHEMBL29517790 0.77 FFAR4 (0.37) FFAR4PDE4DPDE4BPDE4APDE4C
SCHEMBL24439723 0.77 FFAR4 (0.37) FFAR4PDE4DPDE4BPDE4APDE4C
SCHEMBL29517435 0.76 FPR2 (0.39) FFAR4KMT2APDE4DPDE4BPDE4A
SCHEMBL24439651 0.76 FPR2 (0.39) FFAR4KMT2APDE4DPDE4BPDE4A
SCHEMBL24439357 0.76 KMT2A (0.35) KMT2AMAPT

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-2022100624-A1 OXY-SUBSTITUTED AMINOCARBONATE THIOPHENE-BASED COMPOUND AND USE THEREOF 武汉人福创新药物研发中心有限公司 2022-05-19 WO disclosed