SCHEMBL11410558

SCHEMBL11410558

CC(C)CCC[C@@H](C)[C@H]1CCC2C3CCC4CC(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)C3CC[C@@]21C

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.79
HPSE Q9Y251 12/20 0.65
VDR P11473 1/20 0.64
FGF1 P05230 7/20 0.61
CDC25A P30304 2/20 0.61
POLA1 P09884 1/20 0.60
FGF2 P09038 6/20 0.60

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
SCHEMBL26642428 1.00 NR1H4 (0.79) NR1H4HPSEVDRFGF1CDC25A
SCHEMBL26642434 1.00 NR1H4 (0.79) NR1H4HPSEVDRFGF1CDC25A
SCHEMBL30653065 1.00 NR1H4 (0.79) NR1H4HPSEVDRFGF1CDC25A
SCHEMBL3391119 1.00 NR1H4 (0.79) NR1H4HPSEVDRFGF1CDC25A
SCHEMBL15369124 0.94 NR1H4 (0.70) NR1H4HPSEFGF1FGF2
SCHEMBL2059166 0.89 NR1H4 (0.68) NR1H4HPSEFGF1CDC25APOLA1
SCHEMBL12590999 0.89 NR1H4 (0.68) NR1H4HPSEFGF1CDC25APOLA1
SCHEMBL13211407 0.89 NR1H4 (0.68) NR1H4HPSEFGF1CDC25APOLA1
SCHEMBL479186 0.89 NR1H4 (1.00) NR1H4VDR
SCHEMBL31145546 0.89 NR1H4 (0.77) NR1H4HPSEVDRFGF1FGF2

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-4188379-A Sterolins and their use ROECAR HOLDINGS (NETHERLANDS ANTILLES) N.V. (AN) 1980-02-12 US disclosed