SCHEMBL4642490

SCHEMBL4642490

COC(=O)c1ccc(CCCCc2ncc[nH]2)c(OCc2ccc(Cl)cc2Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.48
HTT P42858 2/20 0.44
LMNA P02545 2/20 0.44
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NAMPT P43490 5/20 0.41
NR4A2 P43354 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ADRB2 P07550 1/20 0.40
FABP3 P05413 1/20 0.40
FABP4 P15090 1/20 0.40
FABP5 Q01469 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39

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
SCHEMBL7199087 0.89 NR4A2 (0.51) HDAC8HTTLMNANAMPTNR4A2
SCHEMBL5597420 0.79 MRGPRX4 (0.40) HDAC8LMNAKMT2ASMN1; SMN2NR4A2
SCHEMBL4642486 0.76 HDAC8 (0.45) HDAC8HTTLMNAKMT2ASMN1; SMN2
SCHEMBL11297722 0.74 TAAR1 (0.43) NAMPT
SCHEMBL4642509 0.74 MRGPRX4 (0.42) LMNASMN1; SMN2FABP3FABP4FABP5
SCHEMBL4642678 0.72 CYP4A11 (0.58) SMN1; SMN2NAMPTALDH1A1
SCHEMBL10397860 0.71 NR4A2 (0.72) HDAC8HTTLMNAKMT2ASMN1; SMN2
SCHEMBL5597311 0.71 RXRA (0.44) MRGPRX4
SCHEMBL11702003 0.70 PTGER1 (0.52) HDAC8LMNASMN1; SMN2FABP3FABP4
SCHEMBL6066471 0.69 HDAC8 (0.56) HDAC8LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1804805-A4 USE OF AROMATASE INHIBITORS FOR THE TREATMENT OF ECTOPIC PREGNANCY UNIV WAYNE STATE (US) 2008-08-13 EP disclosed
EP-1804805-A2 USE OF AROMATASE INHIBITORS FOR THE TREATMENT OF ECTOPIC PREGNANCY WAYNE STATE UNIVERSITY (US) 2007-07-11 EP disclosed
WO-2006041941-A2 USE OF AROMATASE INHIBITORS FOR THE TREATMENT OF ECTOPIC PREGNANCY WAYNE STATE UNIVERSITY (US) 2006-04-20 WO disclosed
EP-1492515-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN AROMATASE INHIBITOR AND AN ESTROGEN SUITABLE FOR HORMONE REPLACEMENT THERAPY FOR A MALE JENCAP RESEARCH LTD. (CA) 2005-01-05 EP disclosed
WO-2003082254-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN AROMATASE INHIBITOR AND AN ESTROGEN SUITABLE FOR HORMONE REPLACEMENT THERAPY FOR A MALE JENCAP RESEARCH LTD. (CA) 2003-10-09 WO disclosed
WO-2003082299-A1 IMPROVED HORMONE REPLACEMENT THERAPY JENCAP RESEARCH LTD. (CA) 2003-10-09 WO disclosed