SCHEMBL6963159

SCHEMBL6963159

COc1ccc(N(C)C(=O)c2cc(=O)c3ccccc3o2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.57
GAA P10253 1/20 0.57
KDM4E B2RXH2 5/20 0.54
ALDH1A1 P00352 5/20 0.54
TP53 P04637 2/20 0.54
MAOB P27338 2/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
TNKS O95271 1/20 0.54
LMNA P02545 1/20 0.54
GLA P06280 1/20 0.54
CYP3A4 P08684 1/20 0.54
THRB P10828 1/20 0.54
HPGD P15428 1/20 0.54
KCNA5 P22460 1/20 0.54
KCNH2 Q12809 1/20 0.54
NLRP3 Q96P20 1/20 0.54
HSD17B10 Q99714 1/20 0.54
KMT2A Q03164 4/20 0.54

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
SCHEMBL6963573 0.87 KDM4E (0.63) MAPTGAAKDM4EALDH1A1TP53
SCHEMBL8661913 0.87 MAOA (0.56) MAPTGAAKDM4EALDH1A1TP53
SCHEMBL6965667 0.86 KMT2A (0.51) MAPTGAAKDM4EALDH1A1TP53
SCHEMBL6966261 0.85 MEN1 (0.55) MAPTGAAKDM4EALDH1A1MAOB
SCHEMBL8642829 0.82 KMT2A (0.53) MAPTGAAKDM4EALDH1A1MAOB
SCHEMBL8496984 0.80 KDM4E (0.62) MAPTGAAKDM4EALDH1A1TP53
SCHEMBL6955199 0.78 KMT2A (0.51) MAPTGAAKDM4EALDH1A1MAOB
SCHEMBL6966665 0.78 MAOB (0.47) MAPTKDM4EALDH1A1MAOBNPC1
SCHEMBL12501713 0.77 KMT2A (0.78) MAPTKDM4EALDH1A1TP53MAOB
Hydrochloric Acid SCHEMBL7221783 0.75 HIF1A (0.56) KDM4EALDH1A1TP53MAOBNPC1

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-0787723-B1 CYCLOPROPACHROMENECARBOXYLATE DERIVATIVES SUNTORY LTD (JP) 2003-01-15 EP disclosed
US-5843988-A Cyclopropachromencarboxylic acid derivatives SUNTORY LIMITED (JP) 1998-12-01 US disclosed
EP-0787723-A1 CYCLOPROPACHROMENECARBOXYLATE DERIVATIVES SUNTORY LIMITED (JP) 1997-08-06 EP disclosed