SCHEMBL22198531

SCHEMBL22198531

C=CC(=O)OCC(C)(C)C1OCC(C)(C)CO1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
TP53 P04637 3/20 0.40
HIF1A Q16665 3/20 0.40
CYP3A4 P08684 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.40
THRB P10828 1/20 0.35
TSHR P16473 6/20 0.34
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 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
SCHEMBL9923830 0.90 ALDH1A1 (0.41) ALDH1A1TP53HIF1ACYP3A4SMN1; SMN2
SCHEMBL16188007 0.87 ALDH1A1 (0.41) ALDH1A1TP53HIF1ACYP3A4SMN1; SMN2
SCHEMBL5670880 0.87 ALDH1A1 (0.37) ALDH1A1TP53HIF1ACYP3A4SMN1; SMN2
SCHEMBL23915092 0.86 TSHR (0.38) ALDH1A1TP53HIF1ACYP3A4SMN1; SMN2
SCHEMBL7054380 0.86 ALDH1A1 (0.38) ALDH1A1TP53HIF1ACYP3A4SMN1; SMN2
SCHEMBL5670876 0.85 ALDH1A1 (0.37) ALDH1A1TP53HIF1ACYP3A4SMN1; SMN2
SCHEMBL13007040 0.82 ALDH1A1 (0.36) ALDH1A1TP53HIF1ACYP3A4SMN1; SMN2
SCHEMBL47327 0.82 ALDH1A1 (0.36) ALDH1A1TP53HIF1ACYP3A4SMN1; SMN2
SCHEMBL13061307 0.80 ALDH1A1 (0.34) ALDH1A1TP53HIF1ACYP3A4SMN1; SMN2
SCHEMBL23740320 0.80 ALDH1A1 (0.32) ALDH1A1TP53HIF1ACYP3A4SMN1; SMN2

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
US-10969703-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2021-04-06 US disclosed
US-20200218171-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2020-07-09 US disclosed