SCHEMBL8613307

SCHEMBL8613307

C[C@H](Oc1ccc(O)cc1)C(N)=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.48
ALDH1A1 P00352 1/20 0.46
GAA P10253 2/20 0.46
PKM P14618 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TAS1R2 Q8TE23 1/20 0.46
GLA P06280 1/20 0.44
POLB P06746 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL8612180 1.00 PARP10 (0.48) PARP10ALDH1A1GAAPKMCYP1A2
SCHEMBL8613306 1.00 PARP10 (0.48) PARP10ALDH1A1GAAPKMCYP1A2
SCHEMBL15652500 0.84 PARP10 (0.48) PARP10ALDH1A1GAAPKMCYP1A2
SCHEMBL1117012 0.84 TAS1R3 (0.65) PARP10ALDH1A1GAATAS1R3TAS1R1
SCHEMBL7074553 0.84 KMT2A (0.54) PARP10ALDH1A1GAAPKMCYP1A2
SCHEMBL31147135 0.84 PARP10 (0.48) PARP10ALDH1A1GAAPKMCYP1A2
SCHEMBL7074556 0.84 KMT2A (0.54) PARP10ALDH1A1GAAPKMCYP1A2
SCHEMBL6479499 0.82 ALDH1A1 (0.55) PARP10ALDH1A1GAAPKMCYP1A2
SCHEMBL4689279 0.82 POLB (0.62) PARP10ALDH1A1GAAPKMCYP1A2
SCHEMBL3595730 0.82 ALDH1A1 (0.55) PARP10ALDH1A1GAAPKMCYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5766918-A SYNTHESIS OF PROPIONIC ACIDS FROM RACEMIC AMIDES RHONE-POULENC SANTE (FR) 1998-06-16 US disclosed
EP-0433117-B1 Novel polypeptides, the DNA sequences allowing their expression, method of preparation, and utilization RHONE POULENC SANTE (FR) 1997-05-02 EP disclosed
US-5260208-A Enantioselective amidases, DNA sequences encoding them, method of preparation and utilization RHONE-POULENC SANTE (FR) 1993-11-09 US disclosed
EP-0433117-A1 Novel polypeptides, the DNA sequences allowing their expression, method of preparation, and utilization RHONE-POULENC SANTE (FR) 1991-06-19 EP disclosed