SCHEMBL4642228

SCHEMBL4642228

CCCC(c1ncc[nH]1)c1cc(C(=O)O)ccc1OCc1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.44
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
PPARA Q07869 1/20 0.41
XDH P47989 2/20 0.41
SMPD1 P17405 1/20 0.41
KDM5A P29375 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
FOLH1 Q04609 1/20 0.39
PTGER1 P34995 4/20 0.38
CYP2C9 P11712 1/20 0.38
POLB P06746 2/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
MEN1 O00255 1/20 0.38
DNMT1 P26358 1/20 0.38
PTPN7 P35236 1/20 0.38

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
SCHEMBL5597310 0.92 FPR2 (0.44) FPR2RXRARXRBPPARAXDH
SCHEMBL5597305 0.89 FPR2 (0.40) FPR2RXRARXRBSMPD1THRB
SCHEMBL6437508 0.88 FPR2 (0.47) FPR2SMPD1POLBMEN1KMT2A
SCHEMBL4642066 0.83 CCR5 (0.39) FPR2XDHMRGPRX4MAPT
SCHEMBL4640765 0.82 FPR2 (0.40) FPR2RXRARXRBSMPD1TDP1
SCHEMBL4642685 0.81 FPR2 (0.47) FPR2SMPD1CYP2C9POLBMEN1
SCHEMBL5597175 0.77 FPR2 (0.38) FPR2XDHMAPT
SCHEMBL2352825 0.76 CYP26A1 (0.43) RXRARXRBPPARAXDHSMPD1
SCHEMBL7199085 0.73 NR4A2 (0.47) KDM5AKDM5BMRGPRX4PTGER1
SCHEMBL4642232 0.71 RXRA (0.44) RXRARXRBPPARAXDHSMPD1

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