SCHEMBL4685306

SCHEMBL4685306

Cc1ccc(C(=O)c2ccccc2NC(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.64
TDP1 Q9NUW8 1/20 0.62
ALDH1A1 P00352 6/20 0.55
KMT2A Q03164 3/20 0.53
NPSR1 Q6W5P4 1/20 0.52
TP53 P04637 1/20 0.51
GAA P10253 1/20 0.51
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
ALOX12 P18054 1/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MEN1 O00255 1/20 0.49
SRD5A2 P31213 1/20 0.48

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
SCHEMBL4678464 0.89 ALDH1A1 (0.67) AKR1C3TDP1ALDH1A1KMT2ANPSR1
SCHEMBL10453196 0.88 AKR1C3 (0.57) AKR1C3TDP1ALDH1A1KMT2ANPSR1
SCHEMBL28384877 0.81 AKR1C3 (0.85) AKR1C3TDP1ALDH1A1KMT2ANPSR1
SCHEMBL11189754 0.81 AKR1C3 (0.84) AKR1C3TDP1ALDH1A1KMT2ALMNA
SCHEMBL8923851 0.81 AKR1C3 (0.57) AKR1C3TDP1ALDH1A1KMT2ANPSR1
SCHEMBL2047090 0.79 CYP2C19 (0.66) AKR1C3ALDH1A1KMT2ANPSR1LMNA
SCHEMBL29701296 0.78 AKR1C3 (1.00) AKR1C3TDP1ALDH1A1LMNAHSD17B10
SCHEMBL3940689 0.78 ALDH1A1 (0.67) AKR1C3ALDH1A1KMT2ANPSR1TP53
SCHEMBL503364 0.78 AKR1C3 (1.00) AKR1C3TDP1ALDH1A1LMNAHSD17B10
SCHEMBL15823215 0.78 DHODH (0.73) TDP1ALDH1A1KMT2AMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1904446-A2 AZABICYCLO DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2008-04-02 EP claimed
WO-2007007282-A2 AZABICYCLO DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-01-18 WO claimed
EP-1904446-A2 AZABICYCLO DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2008-04-02 EP disclosed
WO-2007007282-A2 AZABICYCLO DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-01-18 WO disclosed