SCHEMBL9769590

SCHEMBL9769590

CC(C)CCC[C@@H](C)[C@H]1CC=C2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](OC(=O)c2ccccc2)C(C)(C)[C@@H]1CC3

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ SRD5A2 P31213 3/20 0.36
▸ CDC25B P30305 2/20 0.36
▸ CDC25A P30304 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ BACE1 P56817 1/20 0.35
▸ PTGES O14684 1/20 0.34
▸ SRD5A1 P18405 4/20 0.34
▸ NR1H4 Q96RI1 1/20 0.34
▸ HMGCR P04035 1/20 0.34
▸ POLA1 P09884 1/20 0.33
▸ EBP Q15125 3/20 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
SCHEMBL6405681 1.00 USP2 (0.38) USP2ALDH1A1CYP3A4MAPTALOX15
SCHEMBL7697140 0.91 USP2 (0.40) USP2ALDH1A1CYP3A4MAPTALOX15
SCHEMBL5027314 0.90 PTPN1 (0.37) USP2ALDH1A1CYP3A4MAPTALOX15
SCHEMBL5027320 0.90 PTPN1 (0.37) USP2ALDH1A1CYP3A4MAPTALOX15
SCHEMBL7128673 0.90 PTPN1 (0.37) USP2ALDH1A1CYP3A4MAPTALOX15
SCHEMBL8212261 0.90 PTPN1 (0.37) USP2ALDH1A1CYP3A4MAPTALOX15
SCHEMBL7698278 0.90 BACE1 (0.39) USP2ALDH1A1CYP3A4MAPTALOX15
SCHEMBL7707297 0.90 PTPN1 (0.37) USP2ALDH1A1CYP3A4MAPTALOX15
SCHEMBL7697228 0.89 PTPN1 (0.38) USP2ALDH1A1CYP3A4MAPTALOX15
SCHEMBL6405678 0.88 USP2 (0.49) 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
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