SCHEMBL5330709

SCHEMBL5330709

CC(CCc1ccccc1)NC(=O)Cc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.81
POLB P06746 3/20 0.63
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
CNR2 P34972 1/20 0.58
ACACB O00763 3/20 0.57
ACACA Q13085 3/20 0.57
EPHX2 P34913 3/20 0.57
HTT P42858 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HPGD P15428 2/20 0.56
LTA4H P09960 2/20 0.54

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
SCHEMBL6297588 0.90 ALDH1A1 (0.81) ALDH1A1POLBMEN1KMT2ACNR2
SCHEMBL5320801 0.87 ALDH1A1 (0.77) ALDH1A1POLBMEN1KMT2ACNR2
SCHEMBL5325429 0.86 ALDH1A1 (0.76) ALDH1A1POLBMEN1KMT2ACNR2
SCHEMBL14399184 0.86 ALDH1A1 (0.76) ALDH1A1POLBMEN1KMT2ACNR2
SCHEMBL5325371 0.86 ALDH1A1 (0.76) ALDH1A1POLBMEN1KMT2ACNR2
SCHEMBL5327587 0.85 ALDH1A1 (0.74) ALDH1A1POLBMEN1KMT2ACNR2
SCHEMBL14399367 0.85 ALDH1A1 (0.74) ALDH1A1POLBMEN1KMT2ACNR2
SCHEMBL14399186 0.85 ALDH1A1 (0.74) ALDH1A1POLBMEN1KMT2ACNR2
SCHEMBL14399009 0.85 ALDH1A1 (0.74) ALDH1A1POLBMEN1KMT2ACNR2
SCHEMBL5325365 0.85 ALDH1A1 (0.73) ALDH1A1POLBMEN1KMT2ACNR2

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
WO-2007120083-A1 THE USE OF CARBOXAMIDE DERIVATIVES IN THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF INFLAMMATORY, ALLERGIC AND DERMATOLOGICAL CONDITIONS ASTRAZENECA AB (SE) 2007-10-25 WO claimed
WO-2007120083-A1 THE USE OF CARBOXAMIDE DERIVATIVES IN THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF INFLAMMATORY, ALLERGIC AND DERMATOLOGICAL CONDITIONS ASTRAZENECA AB (SE) 2007-10-25 WO disclosed
WO-2007120083-A1 THE USE OF CARBOXAMIDE DERIVATIVES IN THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF INFLAMMATORY, ALLERGIC AND DERMATOLOGICAL CONDITIONS ASTRAZENECA AB (SE) 2007-10-25 WO disclosed