SCHEMBL24439591

SCHEMBL24439591

Cc1nc(-c2sc(Cl)cc2COC(=O)N(C)C(C)C2CC2)ccc1OC1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCC3 O15438 2/20 0.36
ABCC4 O15439 2/20 0.36
SLCO1B3 Q9NPD5 2/20 0.36
SLCO1B1 Q9Y6L6 2/20 0.36
ABCB11 O95342 1/20 0.36
LPAR1 Q92633 1/20 0.36
KMO O15229 3/20 0.32
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
GPR119 Q8TDV5 1/20 0.30
NPY1R P25929 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30

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
SCHEMBL24439588 0.90 SLCO1B1 (0.48) ABCC3ABCC4SLCO1B3SLCO1B1ABCB11
SCHEMBL24439652 0.90 SLCO1B1 (0.48) ABCC3ABCC4SLCO1B3SLCO1B1ABCB11
SCHEMBL24439780 0.89 SLCO1B1 (0.41) ABCC3ABCC4SLCO1B3SLCO1B1ABCB11
SCHEMBL24439645 0.87 SLCO1B1 (0.42) ABCC3ABCC4SLCO1B3SLCO1B1ABCB11
SCHEMBL24439631 0.87 SLCO1B1 (0.40) ABCC3ABCC4SLCO1B3SLCO1B1ABCB11
SCHEMBL24439363 0.86 SLCO1B1 (0.43) ABCC3ABCC4SLCO1B3SLCO1B1ABCB11
SCHEMBL24439719 0.85 SLCO1B1 (0.48) ABCC3ABCC4SLCO1B3SLCO1B1ABCB11
SCHEMBL24439381 0.85 SLCO1B1 (0.50) ABCC3ABCC4SLCO1B3SLCO1B1ABCB11
SCHEMBL24439366 0.85 SLCO1B1 (0.51) ABCC3ABCC4SLCO1B3SLCO1B1ABCB11
SCHEMBL24439371 0.84 ABCC3 (0.41) ABCC3ABCC4SLCO1B3SLCO1B1ABCB11

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