SCHEMBL7348772

SCHEMBL7348772

COc1cc(C(=O)c2ccco2)cc2ccoc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
KMT2A Q03164 3/20 0.55
POLB P06746 2/20 0.55
MEN1 O00255 2/20 0.55
THRB P10828 1/20 0.55
APEX1 P27695 1/20 0.55
RECQL P46063 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 5/20 0.45
KDM4E B2RXH2 3/20 0.45
HSD17B10 Q99714 3/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
CAPN1 P07384 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
SCHEMBL7357261 0.81 KMT2A (0.64) ALDH1A1KMT2APOLBMEN1THRB
SCHEMBL19438782 0.80 PTGS2 (0.53) ALDH1A1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL7376695 0.79 KMT2A (0.47) ALDH1A1KMT2APOLBMEN1THRB
SCHEMBL28182937 0.79 ACVR1 (0.51) ALDH1A1KMT2APOLBMEN1THRB
SCHEMBL5076584 0.79 SMN1; SMN2 (0.65) ALDH1A1KMT2APOLBMEN1THRB
SCHEMBL15354269 0.74 ALDH1A1 (1.00) ALDH1A1KMT2APOLBMEN1THRB
SCHEMBL28183747 0.71 CTNNB1 (0.40) ALDH1A1KMT2APOLBMEN1RAB9A
SCHEMBL28492769 0.71 CTNNB1 (0.69) ALDH1A1KMT2APOLBMEN1THRB
SCHEMBL13142806 0.70 KMT2A (0.62) ALDH1A1KMT2APOLBMEN1THRB
SCHEMBL28183749 0.70 CTNNB1 (0.40) ALDH1A1KMT2APOLBMEN1RAB9A

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-0834508-B1 Substituted biphenyl or phenylpyridine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2001-08-16 EP disclosed
US-5877190-A PHOSPHODIESTERASE INHIBITOR ADIR ET COMPAGNIE (FR) 1999-03-02 US disclosed
EP-0834508-A1 Substituted biphenyl or phenylpyridine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-04-08 EP disclosed