SCHEMBL31389002

SCHEMBL31389002

CCC1(C(=O)c2ccccc2)CNCCO1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
OPRM1 P35372 2/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
ALDH1A1 P00352 4/20 0.33
CES2 O00748 3/20 0.33
CES1 P23141 3/20 0.33
SIGMAR1 Q99720 1/20 0.33
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HPGD P15428 1/20 0.33
PGR P06401 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
HTR2A P28223 1/20 0.33
HRH1 P35367 1/20 0.33

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
SCHEMBL4557427 0.86 ALDH1A1 (0.35) LMNAALDH1A1SIGMAR1USP2TSHR
SCHEMBL9523106 0.78
SCHEMBL29025823 0.78 LMNA (0.37) LMNAALDH1A1CES2CES1SIGMAR1
SCHEMBL28988648 0.77 CES2 (0.34) LMNAOPRM1OPRD1OPRK1ALDH1A1
SCHEMBL27578097 0.76 SIGMAR1 (0.37) LMNAALDH1A1CES2CES1SIGMAR1
Cyclohexane SCHEMBL2970859 0.75
SCHEMBL11446444 0.75 SIGMAR1 (0.36) LMNAALDH1A1CES2CES1SIGMAR1
SCHEMBL27870297 0.74 SLC6A2 (0.35) LMNAALDH1A1CES2CES1SIGMAR1
SCHEMBL5841607 0.74 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3
SCHEMBL28326929 0.73 KDM4E (0.34)

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
CN-119439615-A Photosensitive resin composition set 味之素株式会社 2025-02-14 CN disclosed