SCHEMBL10489684

SCHEMBL10489684

Cc1cccc(NC(=O)OCC(C)C)c1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.59
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
TRPM4 Q8TD43 1/20 0.48
KDM4E B2RXH2 2/20 0.48
LMNA P02545 3/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAOB P27338 1/20 0.46
NLRP3 Q96P20 1/20 0.46
ALDH1A1 P00352 3/20 0.45
CASP3 P42574 1/20 0.45
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CSNK2A2 P19784 1/20 0.43
CSNK2A1 P68400 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL8654580 0.87 HTT (0.51) HTTKDM4ELMNAALOX15TSHR
SCHEMBL10489654 0.85 ALDH1A1 (0.57) NPC1RAB9ATRPM4KDM4ELMNA
SCHEMBL10489955 0.82 LMNA (0.56) NPC1RAB9ATRPM4KDM4ELMNA
SCHEMBL10489837 0.81 NPC1 (0.76) NPC1RAB9ATRPM4KDM4EL3MBTL1
SCHEMBL10490004 0.81 KDM4E (0.56) HTTNPC1RAB9ATRPM4KDM4E
SCHEMBL20302610 0.78 ALDH1A1 (0.54) HTTNPC1RAB9AKDM4ELMNA
SCHEMBL8656262 0.78 ALDH1A1 (0.51) HTTKDM4ELMNAALOX15TSHR
SCHEMBL8652584 0.76 PLK1 (0.43) HTTNPC1RAB9AKDM4ELMNA
SCHEMBL10489664 0.76 ALDH1A1 (0.50) HTTNPC1RAB9ALMNANLRP3
SCHEMBL8657531 0.75 ALDH1A1 (0.56) NPC1RAB9AKDM4ELMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4873232-A ARTHRITIS AND AUTOIMMUNE DISEASES SYNTEX (US) 1989-10-10 US claimed
US-4873232-A ARTHRITIS AND AUTOIMMUNE DISEASES SYNTEX (US) 1989-10-10 US disclosed