SCHEMBL10697426

SCHEMBL10697426

CC(C)CCC[C@@H](C)[C@H]1CC(=O)[C@H]2C3=CC[C@H]4C(C)(C)C(OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HMGCR P04035 2/20 0.42
▸ PTPN1 P18031 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ USP2 O75604 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ NR1H4 Q96RI1 1/20 0.38
▸ CDC25B P30305 2/20 0.37
▸ CDC25A P30304 1/20 0.37
▸ PTGES O14684 1/20 0.37
▸ NFKB1 P19838 3/20 0.36
▸ NFKB2 Q00653 3/20 0.36
▸ RELA Q04206 3/20 0.36
▸ PRKCG P05129 1/20 0.35
▸ FNTA P49354 2/20 0.35
▸ FNTB P49356 2/20 0.35
▸ POLA1 P09884 1/20 0.35
▸ NPC1L1 Q9UHC9 1/20 0.34

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
SCHEMBL9643863 1.00 HMGCR (0.42) HMGCRPTPN1MEN1KMT2AUSP2
SCHEMBL10697421 0.89 HMGCR (0.38) HMGCRPTPN1MEN1KMT2AUSP2
SCHEMBL9766762 0.88 MEN1 (0.53) HMGCRPTPN1MEN1KMT2AUSP2
SCHEMBL10588575 0.85 MEN1 (0.41) HMGCRMEN1KMT2AUSP2ALDH1A1
SCHEMBL11410370 0.85 MEN1 (0.49) MEN1KMT2AUSP2ALDH1A1MAPT
SCHEMBL10424791 0.85 MEN1 (0.49) MEN1KMT2AUSP2ALDH1A1MAPT
SCHEMBL10425134 0.85 MEN1 (0.49) MEN1KMT2AUSP2ALDH1A1MAPT
SCHEMBL9769598 0.81 USP2 (0.40) PTPN1USP2ALDH1A1MAPTALOX15
SCHEMBL9769618 0.81 USP2 (0.40) PTPN1USP2ALDH1A1MAPTALOX15
SCHEMBL9644245 0.79 HMGCR (0.46) HMGCRPTPN1NR1H4PTGESNFKB1

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-0276823-A2 14,15-Substituted lanosterols and their use as hypocholesterolemic agents THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1988-08-03 — — EP disclosed
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