SCHEMBL4642232

SCHEMBL4642232

O=C(O)c1ccc(OCc2ccc(Br)cc2)c(CCCCc2ncc[nH]2)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
PTGER1 P34995 5/20 0.44
PTGER4 P35408 1/20 0.44
PTGER3 P43115 1/20 0.44
PTGER2 P43116 1/20 0.44
XDH P47989 2/20 0.42
TBXAS1 P24557 2/20 0.42
KDM5A P29375 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
PPARA Q07869 1/20 0.41
FOLH1 Q04609 1/20 0.41
SMPD1 P17405 1/20 0.40
CYP2C9 P11712 1/20 0.40
MRGPRX4 Q96LA9 3/20 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
SCHEMBL5597311 0.92 RXRA (0.44) RXRARXRBPTGER1PTGER4PTGER3
SCHEMBL6437512 0.87 LRRK2 (0.45) SMPD1
SCHEMBL5597306 0.86 SMPD1 (0.41) PTGER1TBXAS1SMPD1
SCHEMBL4642071 0.80 LRRK2 (0.39) XDH
SCHEMBL4642686 0.80 NPC1 (0.45) SMPD1
SCHEMBL4640767 0.78 SMPD1 (0.41) TBXAS1SMPD1
SCHEMBL5597314 0.74 LRRK2 (0.37) XDHTBXAS1
SCHEMBL11702689 0.74 CCR5 (0.48) CYP2C9
SCHEMBL10945701 0.74 RXRA (0.45) RXRARXRBPTGER1PTGER4PTGER3
SCHEMBL7199087 0.73 NR4A2 (0.51) PTGER1TBXAS1KDM5AKDM5BMRGPRX4

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 8 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-1804819-A4 USE OF AROMATASE INHIBITORS FOR ENDOMETRIAL THINNING IN PREPARATION FOR SURGICAL PROCEDURES ON THE ENDOMETRIAL CAVITY AND UTERUS UNIV WAYNE STATE (US) 2007-12-12 EP disclosed
EP-1804805-A2 USE OF AROMATASE INHIBITORS FOR THE TREATMENT OF ECTOPIC PREGNANCY WAYNE STATE UNIVERSITY (US) 2007-07-11 EP disclosed
EP-1804819-A2 USE OF AROMATASE INHIBITORS FOR ENDOMETRIAL THINNING IN PREPARATION FOR SURGICAL PROCEDURES ON THE ENDOMETRIAL CAVITY AND UTERUS WAYNE STATE UNIVERSITY (US) 2007-07-11 EP disclosed
WO-2006041939-A2 USE OF AROMATASE INHIBITORS FOR ENDOMETRIAL THINNING IN PREPARATION FOR SURGICAL PROCEDURES ON THE ENDOMETRIAL CAVITY AND UTERUS WAYNE STATE UNIVERSITY (US) 2006-04-20 WO 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