SCHEMBL3785550

SCHEMBL3785550

CC(=O)Cn1ccc2ccc(C(=O)O)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.51
PLA2G4A P47712 3/20 0.51
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 3/20 0.50
HSD17B10 Q99714 2/20 0.50
POLB P06746 1/20 0.50
APOBEC3A P31941 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
LMNA P02545 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
KMT2A Q03164 1/20 0.45
EPHX2 P34913 2/20 0.44
NR1H4 Q96RI1 2/20 0.44
PPARG P37231 2/20 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
SCHEMBL15921713 0.88 PLA2G4A (0.55) PLA2G4AKDM4EKMT2APPARGPPARD
SCHEMBL5387046 0.84 MCL1 (0.53) MCL1PLA2G4AKDM4EALDH1A1HPGD
SCHEMBL30622502 0.84 MCL1 (0.53) MCL1PLA2G4AKDM4EALDH1A1HPGD
SCHEMBL28246496 0.82 MCL1 (0.54) MCL1PLA2G4AKDM4EALDH1A1HPGD
SCHEMBL5981752 0.81 MCL1 (0.57) MCL1PLA2G4AKDM4EALDH1A1HPGD
SCHEMBL8553607 0.80 B3GNT2 (0.50) MCL1PLA2G4AKDM4EALDH1A1HPGD
SCHEMBL1664172 0.79 MCL1 (0.55) MCL1PLA2G4AKDM4EALDH1A1HPGD
SCHEMBL13139567 0.79 NTSR1 (0.45) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL3351795 0.79 MCL1 (0.61) MCL1PLA2G4AKDM4EALDH1A1HPGD
SCHEMBL30443986 0.79 MCL1 (0.49) MCL1PLA2G4AKDM4EALDH1A1HPGD

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
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed