SCHEMBL1123372

SCHEMBL1123372

C=C(C)C(=O)NOCCCCCCC

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
CES2 O00748 1/20 0.44
EPHX1 P07099 1/20 0.43
NAAA Q02083 1/20 0.41
CNR2 P34972 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
FAAH O00519 1/20 0.39
PLA2G2C Q5R387 1/20 0.38
S1PR2 O95136 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
ACHE P22303 6/20 0.38
EPHX2 P34913 1/20 0.38
HTR2C P28335 1/20 0.38
LPAR1 Q92633 1/20 0.37
LPAR3 Q9UBY5 1/20 0.37

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
SCHEMBL9450143 1.00 TSHR (0.55) TSHRCES2EPHX1NAAACNR2
SCHEMBL28923222 1.00 TSHR (0.55) TSHRCES2EPHX1NAAACNR2
SCHEMBL2001226 1.00 TSHR (0.55) TSHRCES2EPHX1NAAACNR2
SCHEMBL5682722 0.98 TSHR (0.52) TSHRCES2EPHX1NAAACNR2
SCHEMBL194349 0.92 TSHR (0.44) TSHRCES2EPHX1CNR2TRPV1
SCHEMBL28188097 0.87 TDP1 (0.43) TSHRCES2CNR2TRPV1FAAH
SCHEMBL28600482 0.85 GAA (0.40) TSHRCNR2TRPV1ACHE
SCHEMBL11257001 0.84 TSHR (0.38) TSHRCNR2TRPV1
SCHEMBL28592185 0.83 GAA (0.37) TSHRCNR2TRPV1ACHE
SCHEMBL29225410 0.82 EPHX1 (0.47) TSHRCES2EPHX1NAAACNR2

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
EP-2000505-B1 HIGH-STRENGTH ADHESIVE POLYMER GEL AND ADHESIVE TAPE SEKISUI PLASTICS (JP) 2011-02-09 EP claimed
CN-119505465-A Temperature-sensitive hydrogel and preparation method and application thereof 合肥综合性国家科学中心大健康研究院 2025-02-25 CN disclosed