SCHEMBL5597306

SCHEMBL5597306

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 2/20 0.41
TBXAS1 P24557 2/20 0.39
THRA P10827 6/20 0.39
THRB P10828 5/20 0.39
PTGER1 P34995 1/20 0.38
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
LTB4R Q15722 1/20 0.35
MTNR1A P48039 1/20 0.35
HSD17B3 P37058 1/20 0.35

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
SCHEMBL4640767 0.93 SMPD1 (0.41) SMPD1TBXAS1THRATHRB
SCHEMBL4642232 0.86 RXRA (0.44) SMPD1TBXAS1PTGER1
SCHEMBL7199364 0.80 HMOX1 (0.47) TBXAS1
SCHEMBL6437512 0.80 LRRK2 (0.45) SMPD1HDAC1HDAC2
SCHEMBL5597311 0.78 RXRA (0.44) SMPD1TBXAS1PTGER1
SCHEMBL5597244 0.78 THRA (0.55) TBXAS1THRATHRBHSD17B3
SCHEMBL4642330 0.77 THRA (0.57) TBXAS1THRATHRBHSD17B3
SCHEMBL5597305 0.77 FPR2 (0.40) SMPD1THRATHRBHSD17B3
SCHEMBL4640765 0.76 FPR2 (0.40) SMPD1THRATHRBHSD17B3
SCHEMBL4642071 0.75 LRRK2 (0.39)

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-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-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
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