SCHEMBL16752633

SCHEMBL16752633

CC(C)(C)C(C)(O)CC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.60
CHRM1 P11229 1/20 0.60
TBXA2R P21731 1/20 0.60
ADRA1A P35348 1/20 0.60
TSHR P16473 2/20 0.50
CYP2C19 P33261 2/20 0.50
HIF1A Q16665 2/20 0.50
CYP2D6 P10635 1/20 0.50
ALDH1A1 P00352 2/20 0.46
CPT2 P23786 2/20 0.44
KDM4E B2RXH2 1/20 0.44
FFAR1 O14842 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ACLY P53396 3/20 0.37
TET2 Q6N021 1/20 0.36
FFAR3 O14843 1/20 0.35

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
SCHEMBL13237233 0.80 HMGCR (0.57) HMGCRCHRM1TBXA2RADRA1ATSHR
SCHEMBL11042733 0.80 HMGCR (0.57) HMGCRCHRM1TBXA2RADRA1ATSHR
SCHEMBL27553894 0.78 HMGCR (0.55) HMGCRCHRM1TBXA2RADRA1ATSHR
SCHEMBL936633 0.78 HMGCR (0.55) HMGCRCHRM1TBXA2RADRA1ATSHR
SCHEMBL7087814 0.78 HMGCR (0.55) HMGCRCHRM1TBXA2RADRA1ATSHR
SCHEMBL8095617 0.78 HMGCR (0.55) HMGCRCHRM1TBXA2RADRA1ATSHR
SCHEMBL10938453 0.77 HMGCR (0.60) HMGCRCHRM1TBXA2RADRA1ATSHR
SCHEMBL9186227 0.76 HMGCR (0.52) HMGCRCHRM1TBXA2RADRA1ATSHR
Meglutol SCHEMBL8718194 0.75 HMGCR (1.00) HMGCRCHRM1TBXA2RADRA1ATSHR
Meglutol SCHEMBL28443 0.75 HMGCR (1.00) HMGCRCHRM1TBXA2RADRA1ATSHR

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-9383668-B2 Toner CANON KABUSHIKI KAISHA (JP) 2016-07-05 US disclosed
US-20150153667-A1 TONER CANON KABUSHIKI KAISHA (JP) 2015-06-04 US disclosed