SCHEMBL27348296

SCHEMBL27348296

C=C(C)C(N)=O.CCCCC(CC)C(OC)OC

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.41
CA1 P00915 4/20 0.41
TDP1 Q9NUW8 2/20 0.39
MAPK1 P28482 1/20 0.34
TSHR P16473 4/20 0.34
CYP3A4 P08684 1/20 0.32
ATM Q13315 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 1/20 0.30
ZDHHC7 Q9NXF8 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
Acrylamide SCHEMBL28876632 0.84 TSHR (0.43) CA2CA1TDP1MAPK1TSHR
Methylamine SCHEMBL28185175 0.80 ALDH1A1 (0.38) CA2CA1TDP1MAPK1TSHR
SCHEMBL7902477 0.80 CA2 (0.39) CA2CA1TDP1MAPK1TSHR
Ammonia Solution, Strong SCHEMBL27526315 0.78 CA2 (0.38) CA2CA1TDP1MAPK1TSHR
Water SCHEMBL28143422 0.78 CA2 (0.38) CA2CA1TDP1MAPK1TSHR
SCHEMBL17821248 0.77 TSHR (0.43) CA2CA1TDP1MAPK1TSHR
SCHEMBL10336713 0.73 TSHR (0.49) CA2CA1TDP1MAPK1TSHR
SCHEMBL29077194 0.73 ZDHHC7 (0.38) TSHRZDHHC7
Hexane SCHEMBL27990720 0.72 TDP1 (0.67) TDP1TSHRCYP3A4
Isothiocyanate SCHEMBL27644942 0.70 CA1 (0.32) CA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102939073-B Compositions for use as assay reagents SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2015-08-26 CN disclosed
CN-102939073-A Compositions for use as assay reagents SIEMENS HEALTHCARE DIAGNOSTICS 2013-02-20 CN disclosed
CN-1152266-C Methods and compositions for making tinted ophthalmic lenses ��˹��ŵ�� 2004-06-02 CN disclosed
CN-1062513-C Photocrosslinked polymers NOVARTIS AG (CH) 2001-02-28 CN disclosed
CN-1283280-A Actively controllable multifocal lens NOVARTIS AG (CH) 2001-02-07 CN disclosed
CN-1278924-A Methods and compositions for making tinted ophthalmic lenses NOVARTIS AG (CH) 2001-01-03 CN disclosed
CN-1228788-A Method and composition for incorporating radiation absorbers in polymers NOVARTIS AG (CH) 1999-09-15 CN disclosed
CN-1108175-A Photocrosslinked polymers CIBA GEIGY AG (CH) 1995-09-13 CN disclosed
CN-1107411-A A process and device for the manufacture of mouldings and mouldings manufactured in accordance with that process CIBA GEIGY AG (CH) 1995-08-30 CN disclosed