SCHEMBL14723764

SCHEMBL14723764

CCC(O)(C(C)=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.45
HIF1A Q16665 1/20 0.45
GLS O94925 4/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
KIF11 P52732 1/20 0.41
KCNN4 O15554 1/20 0.41
DRD2 P14416 1/20 0.41
OPRM1 P35372 1/20 0.41
DRD3 P35462 1/20 0.41
CHRM2 P08172 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
CHRM4 P08173 1/20 0.40
CYP1A2 P05177 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39

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
SCHEMBL584028 0.84 CYP2C19 (0.47) CYP2C19HIF1AGLSLMNAHTT
SCHEMBL7899580 0.84 CYP2C19 (0.47) CYP2C19HIF1AGLSLMNAHTT
SCHEMBL5570579 0.84 CYP2C19 (0.47) CYP2C19HIF1AGLSLMNAHTT
Ammonia Solution, Strong SCHEMBL3396016 0.83 CYP2C19 (0.45) CYP2C19HIF1AGLSLMNAHTT
SCHEMBL13946506 0.81 MAPT (0.55) CYP2C19HIF1AGLSLMNAHTT
SCHEMBL3837958 0.81 MAPT (0.55) CYP2C19HIF1AGLSLMNAHTT
SCHEMBL13946510 0.81 MAPT (0.55) CYP2C19HIF1AGLSLMNAHTT
SCHEMBL846440 0.79 CYP2C19 (0.47) CYP2C19HIF1AGLSLMNAHTT
SCHEMBL390943 0.79 CES1 (0.52) CYP2C19HIF1AGLSLMNAHTT
Acetone SCHEMBL27334452 0.78 CYP2C19 (0.45) CYP2C19HIF1ALMNAHTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115197444-A Electrode slice, electrode slice preparation method and electrical stimulation massager 未来穿戴健康科技股份有限公司 2022-10-18 CN disclosed
EP-3133444-A1 CHEMICALLY AMPLIFIED RESIST MATERIAL, PATTERN-FORMING METHOD, COMPOUND, AND PRODUCTION METHOD OF COMPOUND OSAKA UNIVERSITY (JP) 2017-02-22 EP disclosed
US-8822444-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-02 US disclosed
US-8383094-B2 inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV); useful in establishing or determining the binding site of other antiviral compounds, for example, by competitive inhibition; used to treat or prevent viral contamination of materials BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-26 US disclosed