SCHEMBL11580323

SCHEMBL11580323

COC(=O)N1CC=C(C(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 4/20 0.38
▸ CYP3A4 P08684 4/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ TSHR P16473 3/20 0.36
▸ CYP2D6 P10635 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CCNT1 O60563 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ GABRP O00591 1/20 0.34

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
SCHEMBL11554285 0.83 MAPT (0.42) KMT2AMEN1L3MBTL1ALDH1A1MAPT
SCHEMBL3997777 0.82 GRM5 (0.49) USP2SMN1; SMN2
SCHEMBL11557561 0.81 NPY2R (0.46) CYP2C19KMT2AMEN1MAPK1L3MBTL1
SCHEMBL11560724 0.80 QDPR (0.46) KMT2ATSHRGABRPGABRDGABRA1
SCHEMBL11578372 0.80 SMN1; SMN2 (0.37) ALDH1A1MAPTTSHRSMN1; SMN2NPC1
SCHEMBL28275844 0.80 TSHR (0.39) KMT2AMEN1L3MBTL1ALDH1A1TSHR
SCHEMBL6079220 0.79 L3MBTL1 (0.39) CYP2C19CYP3A4KMT2AMEN1MAPK1
SCHEMBL11552932 0.78 GRM5 (0.54) CYP2C19CYP3A4KMT2AMEN1MAPK1
SCHEMBL11559895 0.77 CYP1A2 (0.54) CYP2C19KMT2AMEN1ALDH1A1MAPT
SCHEMBL11556626 0.77 SMN1; SMN2 (0.48) KMT2AMEN1L3MBTL1ALDH1A1MAPT

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-4511375-A1 BICYCLIC COMPOUNDS Aligos Therapeutics, Inc. (US) 2025-02-26 — — EP disclosed
WO-2023205653-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. (US) 2023-10-26 — — WO disclosed
EP-0000167-A1 1,2,3,6-Tetrahydroisonicotinic acid and derivatives thereof, methods and starting products for their preparation, and pharmaceutical compositions containing them. Krogsgaard-Larsen, Povl (DK) 1979-01-10 — — EP disclosed
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