SCHEMBL6599162

SCHEMBL6599162

COC(=O)c1cc2cc(OCc3ccccc3)ccc2[nH]1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.77
SRD5A2 P31213 2/20 0.77
ALDH1A1 P00352 2/20 0.77
CYP1A2 P05177 2/20 0.77
CYP2C9 P11712 2/20 0.77
HPGD P15428 2/20 0.77
HSD17B10 Q99714 1/20 0.77
PDGFRB P09619 2/20 0.72
PDGFRA P16234 2/20 0.72
FLT3 P36888 1/20 0.70
XDH P47989 2/20 0.69
HDAC1 Q13547 1/20 0.59
HDAC2 Q92769 1/20 0.59
CFD P00746 1/20 0.58
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
MAPT P10636 1/20 0.57
SRD5A1 P18405 1/20 0.54
MAOA P21397 1/20 0.54
MAOB P27338 1/20 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
SCHEMBL8406972 0.90 FLT3 (0.70) KDM4ESRD5A2ALDH1A1CYP1A2CYP2C9
SCHEMBL18733286 0.89 KDM4E (0.79) KDM4ESRD5A2ALDH1A1CYP1A2CYP2C9
SCHEMBL710398 0.88 KDM4E (0.73) KDM4ESRD5A2ALDH1A1CYP1A2CYP2C9
SCHEMBL13133298 0.87 KDM4E (0.81) KDM4ESRD5A2ALDH1A1CYP1A2CYP2C9
SCHEMBL630515 0.87 SRD5A2 (1.00) KDM4ESRD5A2ALDH1A1CYP1A2CYP2C9
SCHEMBL5114489 0.86 KDM4E (0.75) KDM4ESRD5A2ALDH1A1CYP1A2CYP2C9
SCHEMBL6089719 0.85 KDM4E (0.81) KDM4ESRD5A2ALDH1A1CYP1A2CYP2C9
SCHEMBL18900668 0.84 KDM4E (0.75) KDM4ESRD5A2ALDH1A1CYP1A2CYP2C9
SCHEMBL6870759 0.84 PDGFRB (1.00) KDM4ESRD5A2ALDH1A1CYP1A2CYP2C9
SCHEMBL7066092 0.83 FLT3 (0.78) KDM4ESRD5A2ALDH1A1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1150952-B1 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2004-10-27 EP disclosed
US-6737435-B1 ANTIINFLAMMATORY AGENTS; MONOCYTE CHEMOATTRACTANT PROTEIN-1 (MCP-1) DISEASES ASTRAZENECA AB (SE) 2004-05-18 US disclosed
CN-1339025-A Indole derivatives and their use as MCP-1 antagonists ASTRAZENECA AB (SE) 2002-03-06 CN disclosed
EP-1150952-A1 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-11-07 EP disclosed
WO-2000046196-A1 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 ANTAGONISTS ASTRAZENECA AB (SE) 2000-08-10 WO disclosed