SCHEMBL19853975

SCHEMBL19853975

C#C[C@H](CC[C@@H](CC)C(C)C)[C@H]1CCC2[C@@H]3CCC4C[C@@H](NC(=O)C=C)CC[C@]4(C)C3CC[C@@]21C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 3/20 0.49
▸ ACHE P22303 3/20 0.48
▸ USP2 O75604 2/20 0.43
▸ CASP7 P55210 3/20 0.43
▸ GPBAR1 Q8TDU6 3/20 0.43
▸ TP53 P04637 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ BLM P54132 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ VDR P11473 2/20 0.43
▸ HIF1A Q16665 2/20 0.43
▸ MDM4 O15151 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HSPD1 P10809 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ PTPN2 P17706 1/20 0.43
▸ PTPN1 P18031 1/20 0.43
▸ EPHA2 P29317 1/20 0.43

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
SCHEMBL20370399 0.90 BCHE (0.54) BCHEACHEUSP2CASP7GPBAR1
SCHEMBL20374726 0.90 BCHE (0.54) BCHEACHEUSP2CASP7GPBAR1
SCHEMBL19853973 0.88 BCHE (0.51) BCHEACHEUSP2CASP7GPBAR1
SCHEMBL19853985 0.88 BCHE (0.51) BCHEACHEUSP2CASP7GPBAR1
SCHEMBL20374725 0.80 BCHE (0.56) BCHEACHEUSP2CASP7GPBAR1
SCHEMBL20370398 0.80 BCHE (0.56) BCHEACHEUSP2CASP7GPBAR1
SCHEMBL23635432 0.78 CYP2D6 (0.62) BCHEACHEUSP2CASP7GPBAR1
SCHEMBL20374506 0.78 CYP2D6 (0.62) BCHEACHEUSP2CASP7GPBAR1
SCHEMBL20370396 0.78 CYP2D6 (0.62) BCHEACHEUSP2CASP7GPBAR1
SCHEMBL23635434 0.78 CYP2D6 (0.62) BCHEACHEUSP2CASP7GPBAR1

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
WO-2018025974-A1 LIQUID-CRYSTAL DISPLAY ELEMENT AND DISPLAY DEVICE JNC株式会社 2018-02-08 — — WO disclosed
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