SCHEMBL18945765

SCHEMBL18945765

C=C(C)C(C)CCCC(C)C

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.46
LMNA P02545 1/20 0.43
PTPN1 P18031 2/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL11384633 0.82 BLM (0.31) BLM
SCHEMBL1285149 0.79
SCHEMBL14338127 0.79 BLM (0.52) BLMLMNAPTPN1MEN1CYP3A4
SCHEMBL466796 0.79
SCHEMBL1286222 0.77 CA1 (0.52) LMNAMEN1CYP3A4KMT2A
SCHEMBL466818 0.77
SCHEMBL11650641 0.77 LMNA (0.42) BLMLMNAPTPN1MEN1CYP3A4
SCHEMBL11382378 0.77 SMN1; SMN2 (0.33) LMNAMEN1KMT2A
SCHEMBL22296737 0.75 GSR (0.37)
SCHEMBL6037327 0.75 CA1 (0.50) LMNAMEN1CYP3A4KMT2A

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-2661428-B1 QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2017-06-07 EP disclosed