SCHEMBL5328820

SCHEMBL5328820

Cc1cc(C)cc(CC(=O)NC(C)CCc2ccccc2)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.66
POLB P06746 3/20 0.61
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
HTT P42858 1/20 0.57
HPGD P15428 1/20 0.57
RAB9A P51151 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
MAPT P10636 1/20 0.56
CNR2 P34972 1/20 0.56
ESR1 P03372 1/20 0.55
ESR2 Q92731 1/20 0.55
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
MAPK1 P28482 1/20 0.54
CYP2C19 P33261 1/20 0.54
USP2 O75604 1/20 0.54
TSHR P16473 1/20 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
SCHEMBL5325411 0.90 RAB9A (0.65) ALDH1A1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL6297588 0.88 ALDH1A1 (0.81) ALDH1A1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL14399184 0.87 ALDH1A1 (0.76) ALDH1A1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL5322502 0.82 ALDH1A1 (0.68) ALDH1A1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL5325371 0.82 ALDH1A1 (0.76) ALDH1A1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL5325429 0.82 ALDH1A1 (0.76) ALDH1A1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL5322005 0.81 ALDH1A1 (0.63) ALDH1A1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL5323948 0.81 ALDH1A1 (0.63) ALDH1A1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL14399186 0.81 ALDH1A1 (0.74) ALDH1A1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL5327587 0.81 ALDH1A1 (0.74) ALDH1A1POLBMEN1KMT2ASMN1; SMN2

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