SCHEMBL8549873

SCHEMBL8549873

O=C(Nc1ccc(C2=CCNC(C(=O)OCc3ccccc3)C2)cc1)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.51
PDE3B Q13370 1/20 0.51
PDE3A Q14432 1/20 0.51
KDM1A O60341 3/20 0.49
MAOA P21397 2/20 0.49
MAOB P27338 2/20 0.49
RCOR1 Q9UKL0 2/20 0.48
POLB P06746 1/20 0.47
TP53 P04637 2/20 0.47
MAPT P10636 2/20 0.47
TSHR P16473 2/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
RAB9A P51151 1/20 0.47
ATM Q13315 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MGLL Q99685 2/20 0.46
PRKDC P78527 1/20 0.43
ENPP2 Q13822 2/20 0.43
PTPN1 P18031 1/20 0.42

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
SCHEMBL14810088 0.79 ROCK2 (0.56) ROCK2PDE3BPDE3AKDM1AMAOA
SCHEMBL8552354 0.73 GRM2 (0.42) MAOAMAOBTSHR
SCHEMBL14769166 0.73 KDM1A (0.53) ROCK2PDE3BPDE3AKDM1AMAOA
SCHEMBL29562369 0.73 ROCK2 (0.54) ROCK2PDE3BPDE3AKDM1AMAOA
SCHEMBL9128045 0.72 ROCK2 (0.69) ROCK2PDE3BPDE3AKDM1AMAOA
Benzyl Phenylcarbamate SCHEMBL1222943 0.71 POLB (0.78) ROCK2KDM1AMAOAMAOBRCOR1
SCHEMBL1870929 0.70 POLB (0.71) ROCK2KDM1AMAOAMAOBRCOR1
SCHEMBL29562161 0.70 KDM1A (0.49) ROCK2PDE3BPDE3AKDM1AMAOA
SCHEMBL3784570 0.70 ROCK2 (0.66) ROCK2PDE3BPDE3AKDM1AMAOA
SCHEMBL23917849 0.70 ALDH1A1 (0.69) ROCK2PDE3BPDE3AKDM1AMAOA

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
EP-0856002-A1 PHENYLOXAZOLIDINONES HAVING A C-C BOND TO 4-8 MEMBERED HETEROCYCLIC RINGS PHARMACIA & UPJOHN COMPANY (US) 1998-08-05 EP disclosed
WO-1997009328-A1 PHENYLOXAZOLIDINONES HAVING A C-C BOND TO 4-8 MEMBERED HETEROCYCLIC RINGS PHARMACIA & UPJOHN COMPANY (US) 1997-03-13 WO disclosed