SCHEMBL31278485

SCHEMBL31278485

C1CCC(NC2CCCCC2)CC1.COc1ccc(C[C@@H](C(=O)O)N(C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.46
▸ CACNA1B Q00975 2/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ITGB3 P05106 1/20 0.43
▸ ITGA2B P08514 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ LDHA P00338 1/20 0.41
▸ YAP1 P46937 2/20 0.40
▸ TEAD4 Q15561 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 1/20 0.39

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
SCHEMBL29402224 0.90 ITGB3 (0.42) NPC1RAB9AITGB3ITGA2B
SCHEMBL29398294 0.90 ITGB3 (0.46) EPHX2ITGB3ITGA2B
SCHEMBL6927349 0.90 ITGB3 (0.46) EPHX2ITGB3ITGA2B
SCHEMBL6942693 0.87 LDHA (0.54) ITGB3ITGA2BLDHA
SCHEMBL3776724 0.87 LDHA (0.54) ITGB3ITGA2BLDHA
SCHEMBL3638571 0.79 LDHA (0.46) LDHA
SCHEMBL10785304 0.78 MMP13 (0.43) ITGB3ITGA2BLDHAALDH1A1
SCHEMBL3777215 0.77 LDHA (0.46) SMN1; SMN2CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL31407616 0.77 LDHA (0.46) SMN1; SMN2LDHAALDH1A1
SCHEMBL2292028 0.76 MMP13 (0.57) ITGB3ITGA2B

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
EP-4727552-A2 PASSIVE PERMEABLE PCSK9 ANTAGONIST COMPOUNDS Merck Sharp & Dohme LLC (US) 2026-04-22 — — EP disclosed
WO-2024259310-A2 PASSIVE PERMEABLE PCSK9 ANTAGONIST COMPOUNDS MERCK SHARP & DOHME LLC (US) 2024-12-19 — — WO disclosed
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