SCHEMBL29067956

SCHEMBL29067956

CCc1nc(-c2nnn(C)c2COC2CCCCO2)ccc1I

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLCO1B1 Q9Y6L6 3/20 0.33
▸ ABCC3 O15438 2/20 0.33
▸ ABCC4 O15439 2/20 0.33
▸ SLCO1B3 Q9NPD5 2/20 0.33
▸ TGFBR1 P36897 1/20 0.32
▸ TGFBR2 P37173 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ KDM4C Q9H3R0 1/20 0.31
▸ ABCB11 O95342 2/20 0.31
▸ LPAR1 Q92633 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31

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
SCHEMBL27157558 0.89 SLCO1B1 (0.33) SLCO1B1ABCC3ABCC4SLCO1B3TGFBR1
SCHEMBL29922208 0.89 SLCO1B1 (0.33) SLCO1B1ABCC3ABCC4SLCO1B3TGFBR1
SCHEMBL30740333 0.83 KDM4C (0.37) SLCO1B1ABCC3ABCC4SLCO1B3TGFBR1
SCHEMBL22576664 0.83 KDM4C (0.37) SLCO1B1ABCC3ABCC4SLCO1B3TGFBR1
SCHEMBL24982985 0.82 SLCO1B1 (0.39) SLCO1B1ABCC3ABCC4SLCO1B3TGFBR1
SCHEMBL30821872 0.82 ABCC3 (0.33) SLCO1B1ABCC3ABCC4SLCO1B3ABCB11
SCHEMBL30821985 0.82 SLCO1B1 (0.38) SLCO1B1ABCC3ABCC4SLCO1B3TGFBR1
SCHEMBL29411759 0.80 SLCO1B1 (0.38) SLCO1B1ABCC3ABCC4SLCO1B3TGFBR1
SCHEMBL19715601 0.80 SLCO1B1 (0.36) SLCO1B1ABCC3ABCC4SLCO1B3TGFBR1
SCHEMBL19715757 0.80 SLCO1B1 (0.38) SLCO1B1ABCC3ABCC4SLCO1B3TGFBR1

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-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
EP-4196220-A1 TRIAZOLE-PYRIDINYL SUBSTITUTED AZACYCLOHEXYL ACETIC ACID COMPOUNDS AS LPA RECEPTOR ANTAGONISTS Viva Star Biosciences Limited (HK) 2023-06-21 — — EP disclosed
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