SCHEMBL9766802

SCHEMBL9766802

CCOC(=O)C[C@@]12C=C[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CCC1=C2CC[C@H]2C(C)(C)[C@@H](OC(=O)c3ccccc3)CC[C@]12C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ BACE1 P56817 1/20 0.37
▸ PTGES O14684 1/20 0.36
▸ NR1H4 Q96RI1 1/20 0.33
▸ PRKCG P05129 1/20 0.32
▸ PIN1 Q13526 3/20 0.32
▸ CRYAA P02489 1/20 0.32
▸ CRYAB P02511 1/20 0.32
▸ PTPN1 P18031 1/20 0.32
▸ LMNA P02545 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ ABCB1 P08183 1/20 0.30

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
SCHEMBL9766810 1.00 USP2 (0.39) USP2ALDH1A1CYP3A4MAPTALOX15
SCHEMBL9766776 0.94 USP2 (0.38) USP2ALDH1A1CYP3A4MAPTALOX15
SCHEMBL9766780 0.94 USP2 (0.38) USP2ALDH1A1CYP3A4MAPTALOX15
SCHEMBL9766748 0.88 USP2 (0.40) USP2ALDH1A1CYP3A4MAPTALOX15
SCHEMBL9766742 0.88 USP2 (0.40) USP2ALDH1A1CYP3A4MAPTALOX15
SCHEMBL9766848 0.86 LMNA (0.44) PTGESLMNATDP1
SCHEMBL9766811 0.85 CRYAB (0.45) USP2ALDH1A1CYP3A4MAPTALOX15
SCHEMBL9766816 0.85 CRYAB (0.45) USP2ALDH1A1CYP3A4MAPTALOX15
SCHEMBL9766733 0.84 MAPT (0.40) USP2ALDH1A1CYP3A4MAPTALOX15
SCHEMBL9766839 0.84 USP2 (0.42) 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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