SCHEMBL9769598

SCHEMBL9769598

CC(C)CCC[C@@H](C)[C@H]1CC(=O)[C@@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](OC(=O)c2ccccc2)C(C)(C)[C@@H]1CC3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ CDC25B P30305 3/20 0.37
▸ CDC25A P30304 2/20 0.37
▸ NR1H4 Q96RI1 1/20 0.36
▸ SRD5A2 P31213 5/20 0.36
▸ PTGES O14684 1/20 0.36
▸ FNTA P49354 2/20 0.35
▸ FNTB P49356 2/20 0.35
▸ IGF1R P08069 1/20 0.35
▸ MET P08581 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ AXL P30530 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ PTK2 Q05397 1/20 0.35
▸ ALK Q9UM73 1/20 0.35
▸ NR3C1 P04150 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
SCHEMBL9769618 1.00 USP2 (0.40) USP2ALDH1A1CYP3A4MAPTALOX15
SCHEMBL6405712 0.86 CDC25B (0.49) USP2ALDH1A1CYP3A4MAPTALOX15
SCHEMBL6409795 0.84 USP2 (0.41) USP2ALDH1A1CYP3A4MAPTALOX15
SCHEMBL7701847 0.83 NR1H4 (0.35) USP2ALDH1A1CYP3A4MAPTALOX15
SCHEMBL7701851 0.83 NR1H4 (0.35) USP2ALDH1A1CYP3A4MAPTALOX15
SCHEMBL9644062 0.81 MAPT (0.45) USP2ALDH1A1CYP3A4MAPTALOX15
SCHEMBL9644065 0.81 MAPT (0.45) USP2ALDH1A1CYP3A4MAPTALOX15
SCHEMBL10697426 0.81 HMGCR (0.42) USP2ALDH1A1MAPTALOX15CDC25B
SCHEMBL9643863 0.81 HMGCR (0.42) USP2ALDH1A1MAPTALOX15CDC25B
SCHEMBL6405681 0.79 USP2 (0.38) USP2ALDH1A1CYP3A4MAPTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
Send feedback