SCHEMBL27719630

SCHEMBL27719630

O=C(OCCO)C1(c2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APOBEC3A P31941 2/20 0.58
▸ APOBEC3G Q9HC16 2/20 0.58
▸ SIGMAR1 Q99720 3/20 0.57
▸ PRCP P42785 2/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ ALDH1A1 P00352 4/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ GAA P10253 1/20 0.56
▸ POLB P06746 1/20 0.56
▸ OPRM1 P35372 5/20 0.55
▸ HTT P42858 2/20 0.55
▸ LMNA P02545 2/20 0.55
▸ TSHR P16473 2/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ OPRD1 P41143 3/20 0.54
▸ OPRK1 P41145 3/20 0.54
▸ SLC22A1 O15245 2/20 0.54
▸ SLC6A4 P31645 1/20 0.54
▸ ADRA1A P35348 1/20 0.54

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
SCHEMBL9961316 0.91 APOBEC3A (0.63) APOBEC3AAPOBEC3GSIGMAR1PRCPMEN1
SCHEMBL845020 0.81 ALDH1A1 (0.64) APOBEC3AAPOBEC3GSIGMAR1PRCPMEN1
SCHEMBL23225662 0.81 OPRM1 (0.79) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL23748809 0.81 OPRM1 (0.56) APOBEC3AAPOBEC3GSIGMAR1PRCPMEN1
SCHEMBL3972206 0.80 ALDH1A1 (0.63) APOBEC3AAPOBEC3GSIGMAR1PRCPMEN1
Hydrochloric Acid SCHEMBL7382295 0.80 LMNA (0.82) APOBEC3AAPOBEC3GSIGMAR1PRCPMEN1
SCHEMBL27915147 0.79 OPRM1 (0.55) APOBEC3AAPOBEC3GMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL27536019 0.78 ALDH1A1 (0.69) APOBEC3AAPOBEC3GSIGMAR1PRCPMEN1
Hydrochloric Acid SCHEMBL7377217 0.77 LMNA (0.70) APOBEC3AAPOBEC3GSIGMAR1PRCPMEN1
Hydrochloric Acid SCHEMBL7380625 0.77 MEN1 (0.92) SIGMAR1PRCPMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101142167-A Compounds that stimulate glucose utilization and methods of use UNIV ALBERTA (CA) 2008-03-12 — — CN claimed
CN-101142167-A Compounds that stimulate glucose utilization and methods of use UNIV ALBERTA (CA) 2008-03-12 — — CN disclosed
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