SCHEMBL29068035

SCHEMBL29068035

Cn1nnc(-c2ccc(Br)c(C(F)(F)F)n2)c1COC1CCCCO1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLCO1B1 Q9Y6L6 3/20 0.32
▸ ABCB11 O95342 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ KDM4C Q9H3R0 1/20 0.31
▸ ABCC3 O15438 2/20 0.31
▸ ABCC4 O15439 2/20 0.31
▸ SLCO1B3 Q9NPD5 2/20 0.31
▸ LPAR1 Q92633 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ TGFBR1 P36897 1/20 0.30
▸ TGFBR2 P37173 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
SCHEMBL30452885 1.00 SLCO1B1 (0.32) SLCO1B1ABCB11L3MBTL1KDM4CABCC3
SCHEMBL19715601 0.87 SLCO1B1 (0.36) SLCO1B1ABCB11L3MBTL1KDM4CABCC3
SCHEMBL30454078 0.86 SLCO1B1 (0.32) SLCO1B1ABCB11L3MBTL1KDM4CABCC3
SCHEMBL29922208 0.86 SLCO1B1 (0.33) SLCO1B1ABCB11KDM4CABCC3ABCC4
SCHEMBL27157558 0.86 SLCO1B1 (0.33) SLCO1B1ABCB11KDM4CABCC3ABCC4
SCHEMBL30452299 0.84 KDM4C (0.31) SLCO1B1ABCB11KDM4CABCC3ABCC4
SCHEMBL24982985 0.81 SLCO1B1 (0.39) SLCO1B1ABCB11L3MBTL1KDM4CABCC3
SCHEMBL19715862 0.81 SLCO1B1 (0.32) SLCO1B1ABCB11KDM4CABCC3ABCC4
SCHEMBL29411775 0.81 SLCO1B1 (0.32) SLCO1B1ABCB11KDM4CABCC3ABCC4
SCHEMBL19715663 0.81 MIF (0.31) SLCO1B1ABCB11KDM4CABCC3ABCC4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117447450-A Triazole compounds and their use as LPAR1 antagonists 武汉人福创新药物研发中心有限公司 2024-01-26 — — CN disclosed
CN-116669727-A Triazole-pyridinyl substituted azacyclohexylacetic acid compounds as LPA receptor antagonists 唯久生物有限公司 2023-08-29 — — CN disclosed
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