SCHEMBL28018669

SCHEMBL28018669

CCS(=O)(=O)Oc1cc(C)n(C)n1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BAZ2B Q9UIF8 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ BCHE P06276 1/20 0.33
▸ GAA P10253 1/20 0.31
▸ CA2 P00918 2/20 0.31
▸ CA12 O43570 1/20 0.31
▸ NMT1 P30419 1/20 0.31
▸ STS P08842 1/20 0.30
▸ ALPL P05186 1/20 0.30
▸ ALPI P09923 1/20 0.30
▸ PTGS2 P35354 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
SCHEMBL29232713 0.81 CA2 (0.31) GAACA2CA12
SCHEMBL21241140 0.73 HTT (0.36) BAZ2BLMNAALDH1A1SMN1; SMN2HTT
SCHEMBL28202530 0.70 CA12 (0.35) GAACA2CA12
SCHEMBL13574055 0.70 — —
SCHEMBL24467084 0.69 — —
SCHEMBL26707512 0.68 BAZ2B (0.38) BAZ2BLMNAALDH1A1SMN1; SMN2BCHE
SCHEMBL27793413 0.68 BCHE (0.35) BAZ2BLMNAALDH1A1BCHE
SCHEMBL27701994 0.67 BAZ2B (0.44) BAZ2BLMNAALDH1A1SMN1; SMN2HTT
SCHEMBL6266520 0.67 BAZ2B (0.44) BAZ2BLMNAALDH1A1SMN1; SMN2BCHE
SCHEMBL21241213 0.66 BAZ2B (0.43) BAZ2BLMNAALDH1A1SMN1; SMN2BCHE

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-104619698-B Pyrrolidin derivatives and the purposes as complement pathway regulator thereof 诺华股份有限公司 2016-08-31 — — CN disclosed
CN-104619698-A Pyrrolidine derivatives and their use as complement pathway modulators NOVARTIS AG 2015-05-13 — — CN disclosed
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