SCHEMBL4642486

SCHEMBL4642486

CCCC(c1ncc[nH]1)c1ccc(C(=O)OC)cc1OCc1ccc(Cl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.45
HTT P42858 2/20 0.45
LMNA P02545 2/20 0.45
NR4A2 P43354 2/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PPARG P37231 1/20 0.38
RAB9A P51151 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ADRB2 P07550 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
FABP3 P05413 1/20 0.37
FABP4 P15090 1/20 0.37
FABP5 Q01469 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR5 Q9H228 1/20 0.37
PTGER1 P34995 1/20 0.36

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
SCHEMBL7199085 0.92 NR4A2 (0.47) HDAC8HTTLMNANR4A2MRGPRX4
SCHEMBL5597418 0.81 MRGPRX4 (0.36) LMNANR4A2KMT2ASMN1; SMN2KDM4E
SCHEMBL2353051 0.77 HDAC8 (0.44) HDAC8HTTLMNAKMT2ASMN1; SMN2
SCHEMBL4642508 0.76 MRGPRX4 (0.39) HTTLMNANR4A2KMT2ASMN1; SMN2
SCHEMBL4642490 0.76 HDAC8 (0.48) HDAC8HTTLMNANR4A2KMT2A
SCHEMBL5597310 0.73 FPR2 (0.44) MRGPRX4PTGER1
SCHEMBL4642675 0.73 ALDH1A1 (0.56) LMNASMN1; SMN2RAB9AKDM4EALDH1A1
SCHEMBL2777367 0.70 NR4A2 (0.45) HDAC8HTTLMNANR4A2KMT2A
SCHEMBL4642685 0.69 FPR2 (0.47) HTTLMNAKMT2ASMN1; SMN2RAB9A
SCHEMBL4640765 0.69 FPR2 (0.40) SMN1; SMN2RAB9A

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