SCHEMBL21986137

SCHEMBL21986137

Bc1cccc(CCC(CN=O)C(=O)N(c2ccc(N=O)cc2)C(C)C)c1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MLYCD O95822 1/20 0.30

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
SCHEMBL21988171 0.73 TAAR1 (0.34) —
SCHEMBL21986106 0.66 ALDH1A1 (0.42) MLYCD
SCHEMBL21986001 0.66 ALDH1A1 (0.37) —
SCHEMBL26054333 0.63 OPRM1 (0.44) —
SCHEMBL21986133 0.62 ALDH1A1 (0.43) MLYCD
SCHEMBL21986113 0.61 MAPK1 (0.46) MLYCD
SCHEMBL22661934 0.60 PTGES (0.38) —
SCHEMBL21988164 0.60 POLQ (0.38) MLYCD
SCHEMBL21985752 0.57 FPR2 (0.36) —
SCHEMBL3099820 0.56 SLC1A1 (0.47) MLYCD

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-3395804-B1 NOVEL SPIROQUINONE DERIVATIVE COMPOUND, PRODUCTION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING NEUROLOGICAL DISORDERS WHICH CONTAINS SAME AS ACTIVE INGREDIENT UNIV GACHON IND ACAD COOP FOUND (KR) 2020-05-13 — — EP disclosed
Send feedback