SCHEMBL9488997

SCHEMBL9488997

C=C(C)C(=O)OC(C)([O])c1ccc(C(C)([O])OC(=O)C(=C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
ATM Q13315 2/20 0.36
KMT2A Q03164 1/20 0.36
ELANE P08246 1/20 0.35
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 2/20 0.31
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HDAC1 Q13547 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 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
SCHEMBL10027331 0.82 ALDH1A1 (0.39) ALDH1A1ATMKMT2AELANEMAPT
SCHEMBL16858289 0.77 HDAC1 (0.40) ALDH1A1KMT2AMAPTTSHRTDP1
SCHEMBL14827345 0.76 TSHR (0.39) ALDH1A1ATMKMT2AELANEMAPT
SCHEMBL26059969 0.76 ESR1 (0.42) ALDH1A1ELANETSHR
SCHEMBL3180129 0.74 CYP2C19 (0.46) ALDH1A1ATMKMT2AELANEMAPT
SCHEMBL24811772 0.74 ALDH1A1 (0.33) ALDH1A1ATMKMT2AELANE
SCHEMBL14827400 0.74 CES2 (0.41) ALDH1A1MAPTHDAC1CYP2C19
SCHEMBL14827323 0.74 SMN1; SMN2 (0.40) ALDH1A1ATMKMT2AMAPTHTT
SCHEMBL29023313 0.73 CA12 (0.41) ALDH1A1ATMKMT2AELANEMAPT
SCHEMBL9489056 0.73 THRB (0.37) ALDH1A1KMT2ATSHRHTTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5266441-A Heat diffusible coloring compound, polymerizable binder CANON KABUSHIKI KAISHA (JP) 1993-11-30 US disclosed