SCHEMBL30945829

SCHEMBL30945829

CCCCCN(CC)C(=O)NCCCC

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.48
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA9 Q16790 2/20 0.46
MGLL Q99685 1/20 0.43
EPHX2 P34913 2/20 0.42
DNM1 Q05193 2/20 0.42
ACHE P22303 4/20 0.41
CASP2 P42575 1/20 0.41
MMP2 P08253 1/20 0.41

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
SCHEMBL27604683 0.94 EPHX1 (0.53) EPHX1CA12CA1CA9MGLL
SCHEMBL11331606 0.94 CA12 (0.52) EPHX1CA12CA1CA9DNM1
Propionic Acid SCHEMBL10961299 0.90 EPHX2 (0.48) EPHX1CA12CA1CA9MGLL
SCHEMBL30945820 0.89 EPHX1 (0.48) EPHX1CA12CA1CA9MGLL
SCHEMBL18686285 0.88 EPHX1 (0.54) EPHX1CA12CA1CA9EPHX2
SCHEMBL5611450 0.88 EPHX1 (0.50) EPHX1CA12CA1CA9ACHE
SCHEMBL25277924 0.86 EPHX1 (0.57) EPHX1MGLLEPHX2DNM1CASP2
SCHEMBL25226785 0.86 EPHX1 (0.57) EPHX1MGLLEPHX2DNM1CASP2
SCHEMBL25272354 0.86 EPHX1 (0.57) EPHX1MGLLEPHX2DNM1CASP2
SCHEMBL25227663 0.86 EPHX1 (0.57) EPHX1MGLLEPHX2DNM1CASP2

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-118382612-A Method for producing blocked isocyanate compound and method for producing isocyanate compound 旭化成株式会社 2024-07-23 CN disclosed