SCHEMBL3495260

SCHEMBL3495260

CCC(C)(CC(=O)O)CC(=O)O.CCC(CC)(CC(=O)O)CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.44
CHRM1 P11229 1/20 0.44
TBXA2R P21731 1/20 0.44
ADRA1A P35348 1/20 0.44
ALDH1A1 P00352 3/20 0.42
CYP2C19 P33261 2/20 0.42
HIF1A Q16665 2/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
KDM4E B2RXH2 1/20 0.38
FFAR1 O14842 1/20 0.38
CPT2 P23786 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
FFAR3 O14843 2/20 0.35
THRB P10828 2/20 0.32
TET2 Q6N021 1/20 0.31
HSPD1 P10809 1/20 0.31
BLM P54132 1/20 0.31
HSPE1 P61604 1/20 0.31
HDAC3 O15379 1/20 0.31

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
SCHEMBL1335602 0.90 HMGCR (0.52) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL14109353 0.87 HMGCR (0.50) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL28151 0.87 HMGCR (0.48) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL1419066 0.85 HMGCR (0.52) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL25310557 0.83 KDM4E (0.50) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL3138394 0.82 HMGCR (0.48) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL16587771 0.81 HMGCR (0.44) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL4783944 0.81 HMGCR (0.44) HMGCRCHRM1TBXA2RADRA1AALDH1A1
Adipic Acid SCHEMBL20592369 0.79 AKR1B1 (0.52) ALDH1A1TSHRFFAR1TDP1MEN1
SCHEMBL193895 0.77 HMGCR (0.41) HMGCRCHRM1TBXA2RADRA1AALDH1A1

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
US-7859828-B2 supresses increase in the ESR (equivalent series resistance) with the elapse of time in an electrolytic capacitor is suppressed PANASONIC CORPORATION (JP) 2010-12-28 US disclosed