SCHEMBL14690385

SCHEMBL14690385

O=C(O)/C=C/CCCOON1C(=O)c2ccccc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 1/20 0.40
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
MAPT P10636 2/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
TBXAS1 P24557 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TBXA2R P21731 1/20 0.36
RAB9A P51151 1/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL2558508 1.00 ALDH1A1 (0.40) ALDH1A1CYP1A2CYP2C9GAAMEN1
SCHEMBL1531985 0.79 PPARG (0.50) ALDH1A1CYP1A2CYP2C9GAAMEN1
SCHEMBL1532120 0.77 PPARG (0.46) ALDH1A1CYP1A2CYP2C9GAAMEN1
SCHEMBL26480 0.76 PPARG (0.45) ALDH1A1CYP1A2CYP2C9GAAMEN1
SCHEMBL1532004 0.76 PPARG (0.45) ALDH1A1CYP1A2CYP2C9GAAMEN1
SCHEMBL27655259 0.76 SMN1; SMN2 (0.50) ALDH1A1CYP1A2MEN1KMT2AHDAC1
SCHEMBL8980779 0.75 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C9GAAKMT2A
SCHEMBL28980452 0.72 CA12 (0.51) ALDH1A1GAAMEN1KMT2AHDAC1
SCHEMBL5640723 0.71 HDAC1 (0.58) ALDH1A1MEN1KMT2AHDAC1HDAC2
SCHEMBL5640719 0.71 HDAC1 (0.58) ALDH1A1MEN1KMT2AHDAC1HDAC2

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-20130036775-A1 METERING SYSTEM FOR RELEASING AT LEAST THREE DIFFERENT PREPARATIONS DURING A WASHING PROGRAMME OF A WASHING MACHINE HENKEL AG & CO. KGAA (DE) 2013-02-14 US disclosed