SCHEMBL7006952

SCHEMBL7006952

COc1cc(-n2cc(C(=O)O)c(=O)c3cc(F)c(F)c(C)c32)ccc1F

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 2/20 0.52
POLB P06746 1/20 0.52
HSP90AA1 P07900 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
HTT P42858 2/20 0.49
CMA1 P23946 5/20 0.45
PIM1 P11309 3/20 0.43
TOP1 P11387 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RORC P51449 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
STAT3 P40763 1/20 0.38
TOP2A P11388 1/20 0.38
TOP2B Q02880 1/20 0.38

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
SCHEMBL7004828 0.91 ALDH1A1 (0.51) ALDH1A1KDM4EPOLBHSP90AA1RXFP1
SCHEMBL7009901 0.88 HTT (0.57) ALDH1A1KDM4EPOLBHSP90AA1RXFP1
SCHEMBL7009109 0.86 ALDH1A1 (0.54) ALDH1A1KDM4EPOLBHSP90AA1RXFP1
SCHEMBL6215095 0.84 PIM1 (0.56) ALDH1A1KDM4EPOLBHSP90AA1RXFP1
SCHEMBL7009311 0.84 TOP1 (0.45) ALDH1A1KDM4EPOLBHSP90AA1RXFP1
SCHEMBL7008208 0.83 PIM1 (0.50) ALDH1A1KDM4EPOLBHSP90AA1RXFP1
SCHEMBL7006936 0.80 HTT (0.56) ALDH1A1KDM4EPOLBHSP90AA1RXFP1
SCHEMBL8183513 0.80 HTT (0.57) ALDH1A1KDM4EPOLBHSP90AA1RXFP1
SCHEMBL10635656 0.78 ALDH1A1 (0.61) ALDH1A1KDM4EPOLBHSP90AA1RXFP1
SCHEMBL9869480 0.77 ALDH1A1 (0.72) ALDH1A1KDM4EPOLBHSP90AA1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0945435-B1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT WAKUNAGA PHARMA CO LTD (JP) 2003-08-13 EP disclosed
US-6136823-A BACTERICIDES OR VIRICIDES WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
EP-0945435-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP disclosed