SCHEMBL25799171

SCHEMBL25799171

C=C(CC)NC(=O)c1cc(CCC(C)(C)O)ccn1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 1/20 0.40
▸ SMYD3 Q9H7B4 1/20 0.39
▸ AR P10275 3/20 0.36
▸ CTSA P10619 2/20 0.35
▸ ANO1 Q5XXA6 8/20 0.35
▸ PARP1 P09874 2/20 0.34
▸ CYP4F2 P78329 1/20 0.33
▸ CYP4A11 Q02928 1/20 0.33

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
SCHEMBL25807049 0.82 SMYD3 (0.43) LOXL2SMYD3CTSAANO1PARP1
SCHEMBL19556414 0.77 AR (0.54) LOXL2SMYD3ARPARP1CYP4F2
SCHEMBL30112067 0.77 AR (0.54) LOXL2SMYD3ARPARP1CYP4F2
SCHEMBL29684020 0.76 CYP4F2 (0.40) LOXL2ARCYP4F2CYP4A11
SCHEMBL25799158 0.75 KDR (0.35) LOXL2SMYD3ARANO1
SCHEMBL25797141 0.75 DDR1 (0.49) LOXL2ANO1
SCHEMBL25804854 0.72 LRRK2 (0.43) SMYD3ANO1
SCHEMBL22627769 0.71 ALDH1A1 (0.38) ANO1CYP4F2CYP4A11
SCHEMBL25804972 0.69 KDR (0.36) SMYD3
SCHEMBL13945543 0.69 PLK1 (0.51) LOXL2SMYD3CTSAPARP1

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
EP-3452456-B1 BICYCLIC MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2023-07-05 — — EP disclosed
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