SCHEMBL9766748

SCHEMBL9766748

CC(C)CCC[C@@H](C)[C@H]1C=C[C@@]2(CCC(=O)O)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(=O)c2ccccc2)C(C)(C)C1CC3

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
▸ BACE1 P56817 1/20 0.38
▸ PTGES O14684 1/20 0.38
▸ PIN1 Q13526 3/20 0.36
▸ NR1H4 Q96RI1 1/20 0.36
▸ FNTA P49354 3/20 0.33
▸ FNTB P49356 3/20 0.33
▸ CRYAB P02511 2/20 0.33
▸ CRYAA P02489 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ PRKCG P05129 1/20 0.32
▸ NR3C1 P04150 1/20 0.32
▸ NR3C2 P08235 1/20 0.32
▸ HSD11B1 P28845 1/20 0.32
▸ HSD17B2 P37059 1/20 0.32
▸ HSD11B2 P80365 1/20 0.32

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
SCHEMBL9766742 1.00 USP2 (0.40) USP2ALDH1A1CYP3A4MAPTALOX15
SCHEMBL9766780 0.92 USP2 (0.38) USP2ALDH1A1CYP3A4MAPTALOX15
SCHEMBL9766776 0.92 USP2 (0.38) USP2ALDH1A1CYP3A4MAPTALOX15
SCHEMBL9766810 0.88 USP2 (0.39) USP2ALDH1A1CYP3A4MAPTALOX15
SCHEMBL9766802 0.88 USP2 (0.39) USP2ALDH1A1CYP3A4MAPTALOX15
SCHEMBL9766770 0.85 CRYAB (0.47) USP2ALDH1A1CYP3A4MAPTALOX15
SCHEMBL9766775 0.85 CRYAB (0.47) USP2ALDH1A1CYP3A4MAPTALOX15
SCHEMBL9766769 0.81 MAPT (0.48) USP2ALDH1A1CYP3A4MAPTALOX15
SCHEMBL9766774 0.81 MAPT (0.48) USP2ALDH1A1CYP3A4MAPTALOX15
SCHEMBL9644062 0.80 MAPT (0.45) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5023250-A Anticholesterol agents SMITHKLINE BEECHAM CORPORATION (US) 1991-06-11 — — US disclosed
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