SCHEMBL9644062

SCHEMBL9644062

CC(C)CCC[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(=O)c2ccccc2)C(C)(C)[C@@H]1CC3

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.45
▸ USP2 O75604 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ ALOX15 P16050 2/20 0.45
▸ PTGES O14684 1/20 0.40
▸ BACE1 P56817 1/20 0.39
▸ CRYAB P02511 3/20 0.38
▸ CRYAA P02489 1/20 0.37
▸ PIN1 Q13526 4/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ PLA2G1B P04054 1/20 0.36
▸ DNMT1 P26358 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ATG4B Q9Y4P1 1/20 0.36
▸ CDC25A P30304 2/20 0.35
▸ CDC25B P30305 1/20 0.35
▸ NR1H4 Q96RI1 1/20 0.35
▸ FNTA P49354 1/20 0.35

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
SCHEMBL9644065 1.00 MAPT (0.45) MAPTUSP2ALDH1A1CYP3A4ALOX15
SCHEMBL9766738 0.86 MAPT (0.40) MAPTUSP2ALDH1A1CYP3A4ALOX15
SCHEMBL9766733 0.86 MAPT (0.40) MAPTUSP2ALDH1A1CYP3A4ALOX15
SCHEMBL9771470 0.85 MAPT (0.39) MAPTUSP2ALDH1A1CYP3A4ALOX15
SCHEMBL9771465 0.85 MAPT (0.39) MAPTUSP2ALDH1A1CYP3A4ALOX15
SCHEMBL9766769 0.84 MAPT (0.48) MAPTUSP2ALDH1A1CYP3A4ALOX15
SCHEMBL9766774 0.84 MAPT (0.48) MAPTUSP2ALDH1A1CYP3A4ALOX15
SCHEMBL9769622 0.83 MAPT (0.47) MAPTUSP2ALDH1A1CYP3A4ALOX15
SCHEMBL9769618 0.81 USP2 (0.40) MAPTUSP2ALDH1A1CYP3A4ALOX15
SCHEMBL9769598 0.81 USP2 (0.40) MAPTUSP2ALDH1A1CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0276823-B1 14,15-SUBSTITUTED LANOSTEROLS AND THEIR USE AS HYPOCHOLESTEROLEMIC AGENTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-09-23 — — EP disclosed
US-5041432-A Enzyme inhibitors E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-08-20 — — US disclosed
US-5034548-A Enzyme inhibitors for reducing serum cholesterol E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-07-23 — — US disclosed
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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