Sugi Predict

Sugi Predict / Compounds / SCHEMBL14835005

SCHEMBL14835005

SCHEMBL14835005

[CH2]CC(C)C=CCCCC(=C)C

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ USP2 O75604 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ SMN1; SMN2 Q16637 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
SCHEMBL18094422 0.80 MEN1 (0.34) CYP3A4MEN1KMT2A
SCHEMBL2529682 0.78 CYP3A4 (0.35) CYP3A4MEN1KMT2AUSP2LMNA
SCHEMBL7086555 0.76 CYP3A4 (0.43) CYP3A4MEN1KMT2AUSP2LMNA
SCHEMBL28972980 0.75 MEN1 (0.41) CYP3A4MEN1KMT2ALMNAMAPT
SCHEMBL2118020 0.75 MEN1 (0.41) CYP3A4MEN1KMT2ALMNAMAPT
SCHEMBL2118018 0.75 MEN1 (0.41) CYP3A4MEN1KMT2ALMNAMAPT
SCHEMBL2529683 0.74 — —
SCHEMBL6442939 0.72 TRPV1 (0.32) CYP3A4MEN1KMT2A
SCHEMBL1905047 0.72 — —
SCHEMBL1905045 0.72 — —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2576560-A1 SUBSTITUTED IMIDAZOPYRAZINES Bayer Intellectual Property GmbH (DE) 2013-04-10 — — EP disclosed
WO-2011151259-A1 SUBSTITUTED IMIDAZOPYRAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-08 — — WO disclosed