SCHEMBL9864943

SCHEMBL9864943

C=C(C(N)=O)c1ccc(Oc2ccc(C)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.54
PARP10 Q53GL7 7/20 0.52
ALDH1A1 P00352 3/20 0.52
PARP15 Q460N3 2/20 0.52
KMT2A Q03164 1/20 0.52
PARP14 Q460N5 1/20 0.52
PARP16 Q8N5Y8 1/20 0.52
PARP11 Q9NR21 1/20 0.52
PARP4 Q9UKK3 1/20 0.52
HPGD P15428 3/20 0.47
MAPT P10636 2/20 0.47
TEAD4 Q15561 1/20 0.47
RAB9A P51151 1/20 0.47
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPK14 Q16539 1/20 0.43
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CHEK2 O96017 1/20 0.43

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
SCHEMBL1382554 0.89 ALDH1A1 (0.52) PARP10ALDH1A1KMT2AHPGDMAPT
SCHEMBL9865063 0.84 PARP10 (0.67) PARP10ALDH1A1PARP15KMT2APARP14
SCHEMBL9864000 0.82 PARP10 (0.52) PARP10ALDH1A1PARP15KMT2APARP14
Dimethylamine SCHEMBL9864604 0.81 PARP10 (0.59) PARP10ALDH1A1PARP15KMT2APARP14
SCHEMBL24592196 0.81 PARP10 (0.79) MMP13PARP10ALDH1A1PARP15KMT2A
SCHEMBL3013339 0.81 PARP10 (0.79) MMP13PARP10ALDH1A1PARP15KMT2A
SCHEMBL1383343 0.79 CA1 (0.64) PARP10ALDH1A1PARP4MAPTRAB9A
SCHEMBL1450228 0.78 PARP10 (0.39) PARP10ALDH1A1PARP15KMT2APARP14
SCHEMBL822866 0.77 ALDH1A1 (0.73) MMP13PARP10ALDH1A1PARP15KMT2A
SCHEMBL17049541 0.77 ALDH1A1 (0.73) MMP13PARP10ALDH1A1PARP15KMT2A

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
EP-0409565-A1 Rubber composition useful for tires SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-01-23 EP disclosed