SCHEMBL7470487

SCHEMBL7470487

COc1cc2cc(C(=O)O)oc2c(OC)c1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.61
ALDH1A1 P00352 7/20 0.54
HPGD P15428 5/20 0.54
KDM4E B2RXH2 4/20 0.54
HSD17B10 Q99714 3/20 0.54
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA7 P43166 2/20 0.54
CA9 Q16790 2/20 0.54
CA13 Q8N1Q1 2/20 0.54
LMNA P02545 3/20 0.48
RECQL P46063 1/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 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
SCHEMBL15623109 0.87 LMNA (0.59) PIM1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL21230567 0.86 KDM4E (0.53) PIM1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL12848658 0.84 ALDH1A1 (0.51) PIM1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL12795517 0.83 ALDH1A1 (0.50) PIM1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL11743211 0.83 PIM1 (0.56) PIM1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL8057737 0.77 PIM1 (0.70) PIM1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL11746767 0.77 CA12 (0.54) PIM1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL11745931 0.77 PIM1 (0.57) PIM1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL7382658 0.76 PIM1 (1.00) PIM1ALDH1A1LMNARECQLKMT2A
SCHEMBL4766674 0.76 PIM1 (0.55) PIM1ALDH1A1HPGDKDM4EHSD17B10

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-0656360-B1 TRIFLUOROMETHYLPYRROLOINDOLE CARBOXYLIC ESTER DERIVATIVE AND PROCESS FOR PRODUCING THE SAME KYORIN SEIYAKU KK (JP) 2002-11-20 EP disclosed
US-5629430-A ANTICARCINOGENIC AGENTS KYORIN PHARMACEUTICAL CO., LTD. (JP) 1997-05-13 US disclosed
EP-0656360-A1 TRIFLUOROMETHYLPYRROLOINDOLE CARBOXYLIC ESTER DERIVATIVE AND PROCESS FOR PRODUCING THE SAME KYORIN PHARMACEUTICAL CO., LTD. (JP) 1995-06-07 EP disclosed