SCHEMBL21796076

SCHEMBL21796076

Cn1nnc(-c2ccc(O[C@@H]3CCC[C@@H](C(=O)NS(C)(=O)=O)C3)cc2)c1C[C]1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLCO1B1 Q9Y6L6 6/20 0.53
▸ ABCB11 O95342 3/20 0.42
▸ LPAR1 Q92633 4/20 0.36
▸ ABCC3 O15438 2/20 0.36
▸ ABCC4 O15439 2/20 0.36
▸ SLCO1B3 Q9NPD5 2/20 0.36
▸ LPAR3 Q9UBY5 1/20 0.33
▸ ACACB O00763 1/20 0.32
▸ GABRA5 P31644 2/20 0.32
▸ BTK Q06187 1/20 0.31
▸ BCL9 O00512 1/20 0.31
▸ CTNNB1 P35222 1/20 0.31
▸ TYK2 P29597 1/20 0.30
▸ JAK3 P52333 1/20 0.30
▸ FPR2 P25090 1/20 0.30
▸ PROKR1 Q8TCW9 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
SCHEMBL19715676 0.83 SLCO1B1 (0.79) SLCO1B1ABCB11LPAR1ABCC3ABCC4
SCHEMBL19715511 0.83 SLCO1B1 (0.79) SLCO1B1ABCB11LPAR1ABCC3ABCC4
SCHEMBL19715602 0.76 SLCO1B1 (0.71) SLCO1B1ABCB11LPAR1ABCC3ABCC4
SCHEMBL22252711 0.76 SLCO1B1 (0.61) SLCO1B1ABCB11LPAR1ABCC3ABCC4
SCHEMBL30625383 0.76 SLCO1B1 (0.61) SLCO1B1ABCB11LPAR1ABCC3ABCC4
SCHEMBL22436302 0.76 SLCO1B1 (0.70) SLCO1B1ABCB11LPAR1ABCC3ABCC4
SCHEMBL22252457 0.76 SLCO1B1 (0.68) SLCO1B1ABCB11LPAR1ABCC3ABCC4
SCHEMBL24044012 0.75 SLCO1B1 (0.64) SLCO1B1ABCB11LPAR1ABCC3ABCC4
SCHEMBL22252658 0.75 SLCO1B1 (0.64) SLCO1B1ABCB11LPAR1ABCC3ABCC4
SCHEMBL22252518 0.74 SLCO1B1 (0.53) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3666771-B1 LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-09-29 — — EP disclosed
EP-3666771-A1 LPA ANTAGONISTS Bristol-Myers Squibb Company (US) 2020-06-17 — — EP disclosed
EP-3472148-B1 CARBAMOYLOXYMETHYL TRIAZOLE CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2020-03-11 — — EP disclosed
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