SCHEMBL19190824

SCHEMBL19190824

Cc1ccc(C(=O)c2ccc(Oc3ccc(C(=O)c4ccc(ON)cc4)cc3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
LMNA P02545 2/20 0.59
MMP13 P45452 2/20 0.56
SRD5A2 P31213 3/20 0.52
HPGD P15428 3/20 0.48
MAPT P10636 2/20 0.48
PARP10 Q53GL7 2/20 0.48
KMT2A Q03164 1/20 0.48
PARP15 Q460N3 1/20 0.48
PARP14 Q460N5 1/20 0.48
PARP16 Q8N5Y8 1/20 0.48
PARP11 Q9NR21 1/20 0.48
PARP4 Q9UKK3 1/20 0.48
TEAD4 Q15561 1/20 0.48
RAB9A P51151 1/20 0.48
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPK14 Q16539 1/20 0.44
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44

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
SCHEMBL10084164 0.90 ALDH1A1 (0.73) ALDH1A1LMNAMMP13SRD5A2HPGD
SCHEMBL822938 0.90 ALDH1A1 (0.73) ALDH1A1LMNAMMP13SRD5A2HPGD
SCHEMBL6384226 0.90 ALDH1A1 (0.73) ALDH1A1LMNAMMP13SRD5A2HPGD
SCHEMBL16997316 0.90 ALDH1A1 (0.73) ALDH1A1LMNAMMP13SRD5A2HPGD
SCHEMBL822866 0.90 ALDH1A1 (0.73) ALDH1A1LMNAMMP13SRD5A2HPGD
SCHEMBL24087885 0.90 ALDH1A1 (0.73) ALDH1A1LMNAMMP13SRD5A2HPGD
SCHEMBL10001974 0.90 ALDH1A1 (0.73) ALDH1A1LMNAMMP13SRD5A2HPGD
SCHEMBL17049541 0.90 ALDH1A1 (0.73) ALDH1A1LMNAMMP13SRD5A2HPGD
SCHEMBL15294828 0.85 TEAD4 (0.70) ALDH1A1LMNAMMP13SRD5A2HPGD
SCHEMBL17297293 0.85 TEAD4 (0.70) ALDH1A1LMNAMMP13SRD5A2HPGD

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-2758448-B1 SULFONIC ACID GROUP-CONTAINING POLYMER, SULFONIC ACID GROUP-CONTAINING AROMATIC COMPOUND AND METHOD OF MAKING THE SAME, AS WELL AS POLYMER ELECTROLYTE MATERIAL, POLYMER ELECTROLYTE MOLDED PRODUCT AND SOLID POLYMER FUEL CELL USING THE SAME TORAY INDUSTRIES (JP) 2017-08-02 EP disclosed