SCHEMBL21358300

SCHEMBL21358300

CCCCOC(=O)N1CC2(CC(OS(C)(=O)=O)C2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ GBA2 Q9HCG7 1/20 0.34
▸ HRH2 P25021 1/20 0.34
▸ HRH1 P35367 1/20 0.34
▸ GPR119 Q8TDV5 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CHRM2 P08172 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ EPHX2 P34913 2/20 0.32
▸ MMP2 P08253 1/20 0.31
▸ MMP3 P08254 1/20 0.31
▸ MMP9 P14780 1/20 0.31
▸ MMP8 P22894 1/20 0.31
▸ MMP13 P45452 1/20 0.31
▸ NAAA Q02083 1/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ BCHE P06276 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
SCHEMBL23859720 0.83 LMNA (0.49) SMN1; SMN2LMNAPOLBGBA2HRH2
SCHEMBL31532476 0.82 LMNA (0.41) SMN1; SMN2LMNAPOLBGBA2HRH2
SCHEMBL4768470 0.82 SMN1; SMN2 (0.48) SMN1; SMN2LMNAPOLBGBA2HRH2
SCHEMBL31365786 0.82 LMNA (0.43) SMN1; SMN2LMNAPOLBGBA2HRH2
SCHEMBL3313643 0.80 SMN1; SMN2 (0.52) SMN1; SMN2LMNAPOLBHRH2HRH1
SCHEMBL31131213 0.77 SMN1; SMN2 (0.47) SMN1; SMN2LMNAPOLBGBA2GPR119
SCHEMBL2360585 0.77 SMN1; SMN2 (0.47) SMN1; SMN2LMNAPOLBGBA2GPR119
SCHEMBL21401562 0.77 L3MBTL1 (0.39) SMN1; SMN2POLBALDH1A1ATML3MBTL1
SCHEMBL21384531 0.77 L3MBTL1 (0.39) SMN1; SMN2POLBALDH1A1ATML3MBTL1
SCHEMBL18639389 0.77 LMNA (0.46) SMN1; SMN2LMNAPOLBGBA2HRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4326714-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-02-28 — — EP disclosed
WO-2022223750-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2022-10-27 — — WO disclosed
EP-3765020-A1 SPIROCYCLIC ROR-GAMMA MODULATORS Escalier Biosciences B.V. (US) 2021-01-20 — — EP disclosed
WO-2019177997-A1 SPIROCYCLIC ROR-GAMMA MODULATORS ESCALIER BIOSCIENCES B.V. (US) 2019-09-19 — — WO disclosed
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