SCHEMBL3467158

SCHEMBL3467158

CC(=O)Nc1cccc(C(=O)O)c1CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 3/20 0.50
▸ POLB P06746 1/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ HPGD P15428 3/20 0.43
▸ LMNA P02545 1/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ CLCN2 P51788 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ HTT P42858 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ TSHR P16473 2/20 0.41
▸ AKR1B1 P15121 1/20 0.41

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
SCHEMBL8392696 0.83 KMT2A (0.45) CYP2C19POLBSMN1; SMN2RAB9AKDM4E
SCHEMBL21758213 0.81 CYP2C19 (0.51) CYP2C19POLBSMN1; SMN2NPC1RAB9A
SCHEMBL5060389 0.78 AKR1B1 (0.56) POLBSMN1; SMN2KDM4EHSD17B10ALDH1A1
SCHEMBL8391639 0.77 FABP4 (0.60) SMN1; SMN2KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL110042 0.77 POLB (0.72) CYP2C19POLBSMN1; SMN2NPC1RAB9A
SCHEMBL29437050 0.77 POLB (0.72) CYP2C19POLBSMN1; SMN2NPC1RAB9A
SCHEMBL27819891 0.77 POLB (0.72) CYP2C19POLBSMN1; SMN2NPC1RAB9A
SCHEMBL7710596 0.77 ALDH1A1 (0.50) CYP2C19POLBSMN1; SMN2NPC1RAB9A
SCHEMBL4290828 0.76 KDM4E (0.59) CYP2C19POLBSMN1; SMN2NPC1RAB9A
SCHEMBL3655894 0.76 POLB (0.56) CYP2C19POLBSMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010071582-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A SECOND ACTIVE INGREDIENT ASTRAZENECA AB (SE) 2010-06-24 — — WO disclosed
WO-2010071581-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A B2-ADRENOCEPTOR AGONIST ASTRAZENECA AB (SE) 2010-06-24 — — WO disclosed
WO-2010019097-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A SECOND ACTIVE INGREDIENT ASTRAZENECA AB (SE) 2010-02-18 — — WO disclosed
WO-2010019098-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST ASTRAZENECA AB (SE) 2010-02-18 — — WO disclosed
WO-2009139707-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A SECOND ACTIVE INGREDIENT ASTRAZENECA AB (SE) 2009-11-19 — — WO disclosed
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