SCHEMBL5320801

SCHEMBL5320801

CCOc1ccc(CC(=O)NC(C)CCc2ccccc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.77
LMNA P02545 2/20 0.68
MAPT P10636 1/20 0.68
MAPK1 P28482 1/20 0.68
CNR2 P34972 2/20 0.64
POLB P06746 2/20 0.64
ACACB O00763 1/20 0.62
ALPI P09923 1/20 0.61
PKM P14618 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.60
HPGD P15428 2/20 0.60
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
HTT P42858 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
SCHEMBL5325564 0.90 ALDH1A1 (0.73) ALDH1A1LMNAMAPTMAPK1CNR2
SCHEMBL6297588 0.88 ALDH1A1 (0.81) ALDH1A1CNR2POLBSMN1; SMN2HPGD
SCHEMBL5330709 0.87 ALDH1A1 (0.81) ALDH1A1CNR2POLBACACBSMN1; SMN2
SCHEMBL14399184 0.84 ALDH1A1 (0.76) ALDH1A1CNR2POLBSMN1; SMN2HPGD
SCHEMBL5325371 0.84 ALDH1A1 (0.76) ALDH1A1CNR2POLBSMN1; SMN2HPGD
SCHEMBL5325429 0.84 ALDH1A1 (0.76) ALDH1A1MAPTCNR2POLBSMN1; SMN2
SCHEMBL14399367 0.83 ALDH1A1 (0.74) ALDH1A1CNR2POLBSMN1; SMN2HPGD
SCHEMBL14399186 0.83 ALDH1A1 (0.74) ALDH1A1CNR2POLBSMN1; SMN2HPGD
SCHEMBL5327587 0.83 ALDH1A1 (0.74) ALDH1A1LMNAMAPTCNR2POLB
SCHEMBL14399009 0.83 ALDH1A1 (0.74) ALDH1A1CNR2POLBSMN1; SMN2HPGD

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