SCHEMBL28199072

SCHEMBL28199072

CCCCNC(CCC)=C(C)C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.43
EPHX1 P07099 5/20 0.43
CASP2 P42575 1/20 0.43
MMP2 P08253 1/20 0.39
EPHX2 P34913 1/20 0.39
CA12 O43570 1/20 0.38
CA14 Q9ULX7 1/20 0.38
FAAH O00519 1/20 0.38
NAAA Q02083 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
SCHEMBL432886 0.81 CASP2 (0.46) ACHEEPHX1CASP2MMP2EPHX2
SCHEMBL28492144 0.81 EPHX1 (0.55) ACHEEPHX1CASP2FAAHNAAA
SCHEMBL11132676 0.74 THRB (0.44) ACHEEPHX1CASP2MMP2EPHX2
SCHEMBL26906441 0.74 ACHE (0.46) ACHEEPHX1FAAH
SCHEMBL1846394 0.74 CASP2 (0.55) EPHX1CASP2FAAHNAAA
SCHEMBL17226441 0.72 ACHE (0.52) ACHEEPHX1MMP2EPHX2
SCHEMBL29188133 0.71 CES1 (0.43) EPHX1CA12CA14
SCHEMBL15756846 0.71 CES1 (0.43) EPHX1CA12CA14
SCHEMBL5861522 0.70 ALDH1A1 (0.39) EPHX1CASP2
SCHEMBL27821923 0.70 ALDH1A1 (0.39) EPHX1CASP2

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-107636067-A High-performance (methyl) acrylic ester adhesive composition 3M创新有限公司 2018-01-26 CN disclosed