SCHEMBL5478252

SCHEMBL5478252

CC(O)(CC(=O)O)C(N)CN

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.46
HMGCR P04035 1/20 0.46
CHRM1 P11229 1/20 0.46
TBXA2R P21731 1/20 0.46
KDM4E B2RXH2 1/20 0.45
CYP2C19 P33261 2/20 0.44
HIF1A Q16665 2/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
CPT2 P23786 2/20 0.38
ACLY P53396 1/20 0.38
ALDH1A1 P00352 1/20 0.36
FFAR1 O14842 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
BHMT Q93088 3/20 0.35
GABRR1 P24046 2/20 0.33
LMNA P02545 1/20 0.33
CACNA2D1 P54289 2/20 0.32
CACNB3 P54284 1/20 0.32
CACNA1C Q13936 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
SCHEMBL6130129 0.76 ALDH1A1 (0.48) ADRA1AHMGCRCHRM1TBXA2RKDM4E
SCHEMBL6130132 0.76 ALDH1A1 (0.48) ADRA1AHMGCRCHRM1TBXA2RKDM4E
Acetic Acid SCHEMBL674733 0.73 ALDH1A1 (0.34) ADRA1AHMGCRCHRM1TBXA2RKDM4E
Acetic Acid SCHEMBL3180178 0.73 ALDH1A1 (0.34) ADRA1AHMGCRCHRM1TBXA2RKDM4E
SCHEMBL6479538 0.72 HMGCR (0.44) ADRA1AHMGCRCHRM1TBXA2RKDM4E
SCHEMBL6479544 0.72 HMGCR (0.44) ADRA1AHMGCRCHRM1TBXA2RKDM4E
SCHEMBL22965333 0.72 HMGCR (0.55) ADRA1AHMGCRCHRM1TBXA2RKDM4E
SCHEMBL29076389 0.72
Alcohol SCHEMBL3752302 0.71 KDM4E (0.38) ADRA1AHMGCRCHRM1TBXA2RKDM4E
SCHEMBL28789030 0.70 HMGCR (0.46) ADRA1AHMGCRCHRM1TBXA2RKDM4E

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-20070221215-A1 EJECTION LIQUID AND METHOD FOR EJECTING THE SAME CANON KABUSHIKI KAISHA (JP) 2007-09-27 US disclosed