SCHEMBL14980767

SCHEMBL14980767

CC(C)CC[C@@H](C)C(C)(C)O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.32
CA1 P00915 1/20 0.31
TSHR P16473 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
SCHEMBL20794313 0.78 GABRP (0.37) ALDH1A1
SCHEMBL19773350 0.78 GABRP (0.37) ALDH1A1
SCHEMBL987286 0.77
SCHEMBL12505865 0.77
SCHEMBL29172870 0.76 TSHR (0.31) TSHR
SCHEMBL14492438 0.76 TSHR (0.31) TSHR
SCHEMBL469458 0.76 TSHR (0.31) TSHR
SCHEMBL8191759 0.75 LMNA (0.32)
SCHEMBL10026572 0.74 MEN1 (0.33) MEN1CYP3A4ALOX15KMT2AALDH1A1
SCHEMBL9009811 0.74 RIPK1 (0.37) ALDH1A1

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-1268415-B1 26,27-HOMOLOGATED-20-EPI-2-ALKYL-19-NOR-VITAMIN D COMPOUNDS WISCONSIN ALUMNI RES FOUND (US) 2013-05-29 EP disclosed