SCHEMBL30957333

SCHEMBL30957333

COC(=O)NCCCC[C@@H](C(=O)O)N(C)C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 10/20 0.48
▸ EPHX1 P07099 1/20 0.45
▸ MEN1 O00255 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ TPSAB1 Q15661 1/20 0.32
▸ TPSD1 Q9BZJ3 1/20 0.32
▸ TPSG1 Q9NRR2 1/20 0.32

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
SCHEMBL29166024 0.80 KDM4A (0.36) FOLH1
SCHEMBL15215665 0.79 EPHX1 (0.45) FOLH1EPHX1MEN1GAAKMT2A
SCHEMBL30801060 0.78 KDM4A (0.33) FOLH1
SCHEMBL7758732 0.76 GLP1R (0.38) FOLH1
SCHEMBL30476795 0.75 CHRM1 (0.45) MEN1KMT2A
SCHEMBL9699185 0.72 EPHX1 (0.52) EPHX1MEN1GAAKMT2A
SCHEMBL14095770 0.72 EPHX1 (0.52) EPHX1MEN1GAAKMT2A
SCHEMBL13057095 0.72 EPHX1 (0.52) EPHX1MEN1GAAKMT2A
SCHEMBL7252127 0.72 EPHX1 (0.77) EPHX1MEN1KMT2A
SCHEMBL18281082 0.72 MEN1 (0.63) FOLH1MEN1GAAKMT2A

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-118215651-A Method for producing isocyanate compound, method for producing urethane compound, method for recovering amine compound, and isocyanate composition 旭化成株式会社 2024-06-18 — — CN disclosed
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