SCHEMBL7334202

SCHEMBL7334202

[CH2]Cc1ccccc1C(=O)NCc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.76
LMNA P02545 2/20 0.76
GAA P10253 2/20 0.76
L3MBTL1 Q9Y468 2/20 0.76
KMT2A Q03164 4/20 0.65
ALDH1A1 P00352 3/20 0.61
APEX1 P27695 1/20 0.60
METAP2 P50579 1/20 0.59
CHRNB2 P17787 1/20 0.59
CHRNB4 P30926 1/20 0.59
CHRNA3 P32297 1/20 0.59
CHRNA4 P43681 1/20 0.59
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
TP53 P04637 1/20 0.56
GLA P06280 1/20 0.56
NSD2 O96028 2/20 0.55
SGMS2 Q8NHU3 1/20 0.55
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53

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
SCHEMBL17686276 0.86 HPGD (1.00) HPGDLMNAGAAL3MBTL1KMT2A
SCHEMBL5364748 0.85 HPGD (0.78) HPGDLMNAGAAL3MBTL1KMT2A
SCHEMBL31680569 0.84 KMT2A (0.89) HPGDLMNAGAAL3MBTL1KMT2A
SCHEMBL11901003 0.84 KMT2A (0.89) HPGDLMNAGAAL3MBTL1KMT2A
SCHEMBL7749859 0.79 L3MBTL1 (0.53) HPGDLMNAGAAL3MBTL1KMT2A
SCHEMBL6403159 0.79 KMT2A (0.69) HPGDLMNAGAAL3MBTL1KMT2A
SCHEMBL8635709 0.79 KMT2A (1.00) HPGDLMNAGAAL3MBTL1KMT2A
SCHEMBL1984940 0.79 KMT2A (1.00) HPGDLMNAGAAL3MBTL1KMT2A
SCHEMBL2537984 0.79 GAA (0.53) HPGDLMNAGAAL3MBTL1ALDH1A1
SCHEMBL1979028 0.77 KMT2A (0.71) HPGDLMNAGAAL3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5686486-A 4-hydroxy-benzopyran-2-ones and 4-hydroxy-cycloalkyl b!pyran-2-ones useful to treat retroviral infections PHARMACIA & UPJOHN COMPANY (US) 1997-11-11 US claimed
US-5804581-A ADMINISTERING ENZYME INHIBITOR TO TREAT OSTEOARTHRITIS, RHEUMATOID ARTHRITIS, SEPTIC ARTHRITIS, PERIODONTAL DISORDERS, CORNEAL ULCERATION, PROTEINURIA, OSTEOPENIAS, DYSTROPHY, CORONARY THROMBOSIS, TUMOR METASTASIS AND BULLOSA BAYER CORPORATION (US) 1998-09-08 US disclosed
US-5686486-A 4-hydroxy-benzopyran-2-ones and 4-hydroxy-cycloalkyl b!pyran-2-ones useful to treat retroviral infections PHARMACIA & UPJOHN COMPANY (US) 1997-11-11 US disclosed