SCHEMBL9353906

SCHEMBL9353906

CC(C)CCC[C@@H](C)[C@H]1C[C@@H]2O[C@@]23C2=CC[C@H]4C[C@@H](Oc5ccccc5)CC[C@]4(C)[C@H]2CC[C@]13C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HMGCR P04035 2/20 0.40
▸ CDC25A P30304 4/20 0.39
▸ CDC25B P30305 2/20 0.38
▸ POLA1 P09884 2/20 0.37
▸ CXCR1 P25024 1/20 0.36
▸ EBP Q15125 3/20 0.35
▸ DHCR24 Q15392 2/20 0.34
▸ SRD5A2 P31213 3/20 0.33
▸ CYP46A1 Q9Y6A2 1/20 0.33
▸ SRD5A1 P18405 2/20 0.33

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
SCHEMBL10587792 0.87 MEN1 (0.42) MEN1USP2ALDH1A1MAPTALOX15
SCHEMBL10587788 0.87 MEN1 (0.42) MEN1USP2ALDH1A1MAPTALOX15
SCHEMBL10424858 0.87 MEN1 (0.42) MEN1USP2ALDH1A1MAPTALOX15
SCHEMBL8837048 0.87 MEN1 (0.42) MEN1USP2ALDH1A1MAPTALOX15
SCHEMBL9350364 0.87 MEN1 (0.42) MEN1USP2ALDH1A1MAPTALOX15
SCHEMBL9164370 0.87 MEN1 (0.42) MEN1USP2ALDH1A1MAPTALOX15
SCHEMBL10588487 0.83 USP2 (0.62) MEN1USP2ALDH1A1MAPTALOX15
SCHEMBL10588483 0.83 USP2 (0.62) MEN1USP2ALDH1A1MAPTALOX15
SCHEMBL10426464 0.77 HMGCR (0.40) MEN1USP2ALDH1A1MAPTALOX15
SCHEMBL9769614 0.73 HMGCR (0.46) MEN1USP2ALDH1A1MAPTALOX15

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-0327119-B1 Improved process for synthesis of 5-alpha-cholest-8(14)-en-3 beta-ol-15-one and other 15-oxygenated sterols UNIV RICE WILLIAM M (US) 1994-09-14 — — EP disclosed
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