SCHEMBL5282428

SCHEMBL5282428

COC(=O)C(c1ccc(C)cc1)c1ccc(C)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.51
TDP1 Q9NUW8 1/20 0.48
KMT2A Q03164 3/20 0.45
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
MEN1 O00255 2/20 0.42
LMNA P02545 1/20 0.42
ALDH1A1 P00352 1/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
ACHE P22303 1/20 0.40

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
SCHEMBL28093888 0.92 KMT2A (0.58) L3MBTL1TDP1KMT2ACNR1CNR2
SCHEMBL27965714 0.92 ESR1 (0.51) L3MBTL1TDP1KMT2AMEN1LMNA
SCHEMBL10185057 0.83 ALDH1A1 (0.58) L3MBTL1TDP1KMT2AMEN1LMNA
SCHEMBL384968 0.83 ESR1 (0.58) KMT2ACNR1CNR2ALDH1A1ESR1
SCHEMBL8594247 0.81 TDP1 (0.47) L3MBTL1TDP1KMT2ALMNAALDH1A1
SCHEMBL18547195 0.81 HDAC4 (0.57) L3MBTL1KMT2ACNR1CNR2ALDH1A1
SCHEMBL12424105 0.81 HPGD (0.51) L3MBTL1TDP1KMT2AACHE
SCHEMBL4462758 0.81 HDAC3 (0.57) KMT2AMEN1LMNAALDH1A1
SCHEMBL8594253 0.81 TDP1 (0.47) L3MBTL1TDP1KMT2ALMNAALDH1A1
SCHEMBL3541681 0.81 MEN1 (0.49) L3MBTL1KMT2ACNR1CNR2MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007007347-A1 INDUSTRIAL PROCESS OF FEXOFENADINE HYDROCHLORIDE WITH CONTROLLED SIDE PRODUCTS WOCKHARDT LIMITED (IN) 2007-01-18 WO disclosed
US-6436962-B1 ALPHA 1A ADRENERGIC RECEPTOR ANTAGONISTS; RELIEF FROM BENIGN PROSTATIC HYPERPLASIA BY LESS HINDERED URINE FLOW BY RELAXING SMOOTH MUSCLE TISSUE; WITH A TESTOSTERONE 5-ALPHA REDUCTASE INHIBITOR, FINASTERIDE; ACUTE AND CHRONIC RELIEF MERCK & CO., INC. 2002-08-20 US disclosed