SCHEMBL5597244

SCHEMBL5597244

CCCCCC(=O)c1ccc(CCCCc2ncc[nH]2)cc1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
THRA P10827 10/20 0.55
THRB P10828 10/20 0.55
TBXAS1 P24557 2/20 0.53
HSD17B3 P37058 6/20 0.48
HAO1 Q9UJM8 1/20 0.47

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
SCHEMBL4642330 0.99 THRA (0.57) THRATHRBTBXAS1HSD17B3HAO1
SCHEMBL4642761 0.96 THRA (0.53) THRATHRBTBXAS1HSD17B3HAO1
SCHEMBL4640753 0.92 TBXAS1 (0.52) THRATHRBTBXAS1HSD17B3HAO1
SCHEMBL11440891 0.81 THRA (0.79) THRATHRBHSD17B3HAO1
SCHEMBL4642292 0.81 LMNA (0.50) TBXAS1
SCHEMBL8537670 0.80 TBXAS1 (0.57) TBXAS1
SCHEMBL8536355 0.80 TBXAS1 (0.57) TBXAS1HSD17B3HAO1
SCHEMBL8538995 0.80 TBXAS1 (0.57) TBXAS1
SCHEMBL8536914 0.79 TBXAS1 (0.56) THRATHRBTBXAS1HSD17B3
Adipic Acid SCHEMBL2459217 0.79 TBXAS1 (0.85) TBXAS1

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-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
WO-2003082299-A1 IMPROVED HORMONE REPLACEMENT THERAPY JENCAP RESEARCH LTD. (CA) 2003-10-09 WO disclosed