SCHEMBL4642035

SCHEMBL4642035

OCc1ccc(CCCCc2ncc[nH]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.53
TERT O14746 1/20 0.45
TAAR1 Q96RJ0 8/20 0.43
ALOX15 P16050 1/20 0.37
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
NAMPT P43490 2/20 0.36
FDPS P14324 1/20 0.36
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR1A P08908 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
SCHEMBL6017533 0.86 TBXAS1 (0.53) TBXAS1TERTTAAR1ALOX15LMNA
SCHEMBL8309447 0.83 TBXAS1 (0.49) TBXAS1TERTTAAR1ALOX15LMNA
SCHEMBL8200191 0.82 TBXAS1 (0.51) TBXAS1TERTTAAR1ALOX15CYP2D6
SCHEMBL15121693 0.82 TAAR1 (0.65) TBXAS1TERTTAAR1CYP2D6TSHR
Hydrochloric Acid SCHEMBL3647287 0.81 TBXAS1 (0.50) TBXAS1TERTTAAR1ALOX15LMNA
SCHEMBL3431746 0.81 TBXAS1 (0.66) TBXAS1TERTTAAR1ALOX15FDPS
SCHEMBL2942858 0.81 TAAR1 (0.62) TBXAS1TERTTAAR1CYP2D6TSHR
SCHEMBL8542 0.80 TBXAS1 (0.61) TBXAS1TERTTAAR1ALOX15FDPS
SCHEMBL503743 0.79 TBXAS1 (0.69) TBXAS1TERTTAAR1ALOX15FDPS
SCHEMBL28062565 0.79 TBXAS1 (0.69) TBXAS1TERTTAAR1ALOX15FDPS

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 9 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
WO-2003082299-A1 IMPROVED HORMONE REPLACEMENT THERAPY JENCAP RESEARCH LTD. (CA) 2003-10-09 WO disclosed