SCHEMBL25858572

SCHEMBL25858572

CPCc1ccc(OC(C)OCC23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SCN9A Q15858 1/20 0.32
CXCR3 P49682 2/20 0.32
P2RX7 Q99572 1/20 0.32
EPHX2 P34913 2/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL20333367 0.85 MEN1 (0.36) MEN1KMT2AALDH1A1HTTNPSR1
SCHEMBL10182512 0.78 ALDH1A1 (0.37) MEN1KMT2AALDH1A1NPSR1SCN9A
SCHEMBL684988 0.78 SCN9A (0.34) MEN1KMT2AALDH1A1SCN9A
SCHEMBL686108 0.77 CNR2 (0.36) MEN1KMT2AALDH1A1SCN9AP2RX7
SCHEMBL920199 0.74 BRD4 (0.33) SCN9AP2RX7
SCHEMBL25686020 0.73 SCN9A (0.32) SCN9ASMN1; SMN2
SCHEMBL19333726 0.72 SCN9A (0.31) SCN9A
SCHEMBL23051429 0.69
SCHEMBL775356 0.67 CA12 (0.39) MEN1KMT2AALDH1A1NPSR1SMN1; SMN2
SCHEMBL2739871 0.66 LMNA (0.46) MEN1KMT2AALDH1A1NPSR1SMN1; SMN2

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
US-20230229078-A1 CHEMICAL LIQUID SUPPLY METHOD AND PATTERN FORMING METHOD FUJIFILM CORPORATION (JP) 2023-07-20 US disclosed