SCHEMBL24087724

SCHEMBL24087724

CCC(C)N1CCC(C)C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.50
TSHR P16473 1/20 0.38
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
DPP4 P27487 2/20 0.35
PER2 O15055 4/20 0.33
PKM P14618 1/20 0.31
SIRT5 Q9NXA8 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31
CTSV O60911 1/20 0.30
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
CTSC P53634 1/20 0.30
CTSF Q9UBX1 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
SCHEMBL26222312 0.86 PIK3CD (0.45) PIK3CDTSHRCHRM2CHRM4CHRM5
SCHEMBL16472435 0.79 PIK3CD (0.52) PIK3CDCHRM2CHRM4CHRM5CHRM1
SCHEMBL18821171 0.79 PIK3CD (0.52) PIK3CDCHRM2CHRM4CHRM5CHRM1
SCHEMBL9251617 0.79 PIK3CD (0.52) PIK3CDCHRM2CHRM4CHRM5CHRM1
SCHEMBL19419761 0.79 TSHR (0.40) PIK3CDTSHRDPP4PKMSIRT5
SCHEMBL20394095 0.77 PIK3CD (0.42) PIK3CDCHRM2CHRM4CHRM5CHRM1
SCHEMBL23875181 0.77 PIK3CD (0.46) PIK3CDCHRM2CHRM4CHRM5CHRM1
SCHEMBL23921708 0.76 PIK3CD (0.48) PIK3CDCHRM2CHRM4CHRM5CHRM1
SCHEMBL12052203 0.75 LMNA (0.53) PIK3CDCHRM2CHRM4CHRM5CHRM1
SCHEMBL1880938 0.75 ACE (0.46) PIK3CDCHRM2CHRM4CHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210379704-A1 COMPOSITIONS BASED ON YTTRIUM, CERIUM AND AN ORGANIC COMPOUND, AND STOP-OFF USE THEREOF RHODIA OPERATIONS (FR) 2021-12-09 US disclosed