SCHEMBL24439634

SCHEMBL24439634

CNCOC(=O)N(C)CC1CCC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.37
BCHE P06276 2/20 0.32
ACHE P22303 1/20 0.32
ABCB11 O95342 2/20 0.32
SLCO1B1 Q9Y6L6 2/20 0.32
ABCC3 O15438 1/20 0.32
ABCC4 O15439 1/20 0.32
LPAR1 Q92633 1/20 0.32
SLCO1B3 Q9NPD5 1/20 0.32

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
SCHEMBL23225638 0.81 ALOX5 (0.40) ALOX5BCHEACHEABCB11SLCO1B1
SCHEMBL25692128 0.80 ALOX5 (0.42) ALOX5BCHEACHE
SCHEMBL24131732 0.77 RAB9A (0.38) ALOX5BCHEACHEABCB11SLCO1B1
SCHEMBL24439674 0.76 ALDH1A1 (0.39) ACHE
SCHEMBL12169672 0.75 ALOX5 (0.44) ALOX5
SCHEMBL12987797 0.75 ALOX5 (0.41) ALOX5BCHEACHE
SCHEMBL24441493 0.75 BCHE (0.40) ALOX5BCHEACHE
SCHEMBL20794153 0.73 MAPT (0.38) ALOX5BCHEACHE
SCHEMBL20251406 0.73 ALOX5 (0.42) ALOX5
SCHEMBL24438464 0.72 ALOX5 (0.39) ALOX5

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