SCHEMBL8668145

SCHEMBL8668145

O=C(CCc1ccc(-c2ccccc2)c2c(C(=O)O)c3ccccc3nc12)ON1C(=O)CCC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.42
PSMB5 P28074 1/20 0.42
ALDH1A1 P00352 4/20 0.35
DHODH Q02127 5/20 0.34
LMNA P02545 3/20 0.34
PDE10A Q9Y233 2/20 0.34
TSHR P16473 1/20 0.34
LTB4R Q15722 3/20 0.33
KDM4E B2RXH2 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CDC7 O00311 1/20 0.33
EEF2K O00418 1/20 0.33
PLK4 O00444 1/20 0.33
DYRK3 O43781 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
PRKCG P05129 1/20 0.33
AXL P30530 1/20 0.33
AKT1 P31749 1/20 0.33
AKT2 P31751 1/20 0.33

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
SCHEMBL8669727 0.81 DHODH (0.43) DHODHLMNAPDE10ATSHRLTB4R
SCHEMBL5182384 0.81 PSMB8 (0.40) PSMB8PSMB5ALDH1A1DHODHPDE10A
SCHEMBL8677313 0.81 SMN1; SMN2 (0.48) ALDH1A1DHODHLMNAPDE10ATSHR
SCHEMBL3075378 0.74 PSMB8 (0.38) PSMB8PSMB5
Trifluoromethanesulfonic Acid SCHEMBL7644634 0.73 PSMB8 (0.37) PSMB8PSMB5
SCHEMBL21664524 0.70 CDYL (0.49) PSMB8PSMB5KDM4ECYP1A2
SCHEMBL3415993 0.67 PSMB8 (0.36) PSMB8PSMB5
SCHEMBL1804142 0.67 KMT2A (0.52) PSMB8PSMB5ALDH1A1KDM4ECYP2D6
SCHEMBL16624723 0.67 ALDH1A1 (0.41) PSMB8PSMB5ALDH1A1LMNASMN1; SMN2
SCHEMBL3143334 0.67 KDM4E (0.44) ALDH1A1DHODHLMNAPDE10AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5837452-A HEATING CELLS IN SOLUTION CONTAINING NONIONIC SURFACTANT DETERGENT AND CHELATE COMPOUND GEN-PROBE INCORPORATED (US) 1998-11-17 US disclosed