SCHEMBL24439624

SCHEMBL24439624

COC(=O)[C@H]1CCC[C@H](Oc2ccc(-c3sc(Cl)cc3COC(=O)N(C)C3CCCC3)cc2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLCO1B1 Q9Y6L6 5/20 0.50
ABCB11 O95342 1/20 0.42
LPAR1 Q92633 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP13 P45452 1/20 0.32
ACHE P22303 1/20 0.32
FFAR4 Q5NUL3 2/20 0.32
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
BCL2A1 Q16548 1/20 0.31
DYRK1A Q13627 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
SCHEMBL24439407 0.92 SLCO1B1 (0.59) SLCO1B1ABCB11LPAR1NPC1RAB9A
SCHEMBL24439720 0.88 SLCO1B1 (0.40) SLCO1B1ABCB11LPAR1NPC1FFAR4
SCHEMBL29517757 0.88 SLCO1B1 (0.40) SLCO1B1ABCB11LPAR1NPC1FFAR4
SCHEMBL24439386 0.83 SLCO1B1 (0.43) SLCO1B1ABCB11LPAR1NPC1RAB9A
SCHEMBL29517791 0.81 SLCO1B1 (0.43) SLCO1B1ABCB11LPAR1NPC1RAB9A
SCHEMBL24439729 0.81 SLCO1B1 (0.43) SLCO1B1ABCB11LPAR1NPC1RAB9A
SCHEMBL24439627 0.81 MEN1 (0.36) SLCO1B1NPC1RAB9AMEN1KMT2A
SCHEMBL24439352 0.81 SLCO1B1 (0.40) SLCO1B1ABCB11LPAR1
SCHEMBL24439344 0.80 SLCO1B1 (0.48) SLCO1B1ABCB11LPAR1NPC1FFAR4
SCHEMBL29672297 0.80 SLCO1B1 (0.48) SLCO1B1ABCB11LPAR1NPC1FFAR4

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 3 patents. 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
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
CN-114456147-A Oxygen substituted amino carbonate thiophene compounds 武汉人福创新药物研发中心有限公司 2022-05-10 CN disclosed