SCHEMBL8517063

SCHEMBL8517063

C=C(C)CN(CCCC)CC(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.42
CA9 Q16790 3/20 0.42
CA1 P00915 2/20 0.42
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP8 P22894 1/20 0.36
CYP1A2 P05177 3/20 0.35
KDM5A P29375 4/20 0.33
CYP3A4 P08684 2/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
LMNA P02545 1/20 0.33
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
GAA P10253 1/20 0.33
CYP2D6 P10635 1/20 0.33
DRD3 P35462 1/20 0.33
SCN1A P35498 1/20 0.33
SLC6A3 Q01959 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
SCHEMBL8373313 0.89 CYP1A2 (0.42) CA12CA9CA1CYP1A2CHRM2
SCHEMBL1777056 0.84 CA1 (0.46) CA12CA9CA1MMP1MMP2
SCHEMBL9485033 0.82 CYP1A2 (0.44) CA12CA9CA1MMP1MMP2
SCHEMBL8417254 0.80 CA12 (0.45) CA12CA9CA1MMP1MMP2
Hydrochloric Acid SCHEMBL22771570 0.80 CYP1A2 (0.43) CA12CA9CA1MMP1MMP2
SCHEMBL28420309 0.78 CES2 (0.42) CA12CA9CA1CYP1A2KDM5A
SCHEMBL3129865 0.78 CA12 (0.43) CA12CA9CA1CYP1A2KDM5A
SCHEMBL22353427 0.78 CYP1A2 (0.46) CA12CA9CA1MMP1MMP2
SCHEMBL571062 0.77 ALDH1A1 (0.43) CA12CA9CA1MMP1MMP2
SCHEMBL8517064 0.76 CA12 (0.41) CA12CA9CA1MMP1MMP2

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
US-5883211-A Thermoreversible hydrogels comprising linear copolymers and their use in electrophoresis ACLARA BIOSCIENCES, INC. (US) 1999-03-16 US disclosed
WO-1997040078-A1 THERMOREVERSIBLE HYDROGELS COMPRISING NON-CROSSLINKED COPOLYMERS AND THEIR USE IN ELECTROPHORESIS SOANE BIOSCIENCES (US) 1997-10-30 WO disclosed