SCHEMBL24043036

SCHEMBL24043036

CN(C(=O)OCc1oncc1-c1ccc(OC2CCC[C@H](C(=O)O)C2)cc1)C1CCCC1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SLCO1B1 Q9Y6L6 8/20 0.67
▸ ABCB11 O95342 3/20 0.55
▸ LPAR1 Q92633 7/20 0.43
▸ ABCC3 O15438 2/20 0.36
▸ ABCC4 O15439 2/20 0.36
▸ SLCO1B3 Q9NPD5 2/20 0.36
▸ FFAR4 Q5NUL3 2/20 0.35
▸ APP P05067 1/20 0.34
▸ DGAT1 O75907 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL22256882 1.00 SLCO1B1 (0.67) SLCO1B1ABCB11LPAR1ABCC3ABCC4
SCHEMBL24287686 0.87 SLCO1B1 (0.52) SLCO1B1ABCB11LPAR1ABCC3ABCC4
SCHEMBL22256875 0.84 SLCO1B1 (0.64) SLCO1B1ABCB11LPAR1ABCC3ABCC4
SCHEMBL24043052 0.84 SLCO1B1 (0.64) SLCO1B1ABCB11LPAR1ABCC3ABCC4
SCHEMBL22256588 0.83 SLCO1B1 (0.68) SLCO1B1ABCB11LPAR1ABCC3ABCC4
SCHEMBL24042781 0.83 SLCO1B1 (0.62) SLCO1B1ABCB11LPAR1ABCC3ABCC4
SCHEMBL22256591 0.83 SLCO1B1 (0.67) SLCO1B1ABCB11LPAR1ABCC3ABCC4
SCHEMBL22256877 0.83 SLCO1B1 (0.62) SLCO1B1ABCB11LPAR1ABCC3ABCC4
SCHEMBL22256605 0.82 SLCO1B1 (0.64) SLCO1B1ABCB11LPAR1ABCC3ABCC4
SCHEMBL22256606 0.82 SLCO1B1 (0.73) SLCO1B1ABCB11LPAR1ABCC3ABCC4

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
EP-3912975-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND PREPARATION METHOD THEREFOR Wuhan LL Science And Technology Development Co., Ltd. (CN) 2021-11-24 — — EP disclosed
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