SCHEMBL5753134

SCHEMBL5753134

CC(=O)Nc1cccc(Oc2ccccc2C(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.57
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
HPSE Q9Y251 1/20 0.51
KDM4E B2RXH2 4/20 0.50
HSD17B10 Q99714 2/20 0.50
NR2E3 Q9Y5X4 1/20 0.50
POLB P06746 1/20 0.50
NAPRT Q6XQN6 1/20 0.50
FGFR1 P11362 1/20 0.49
KDR P35968 1/20 0.49
USP2 O75604 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL5751605 0.87 MAPK1 (0.59) MAPK1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL25303817 0.85 KMT2A (0.62) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL12888865 0.85 MAPK1 (0.65) MAPK1NPC1RAB9ASMN1; SMN2MEN1
Acetic Acid SCHEMBL27641217 0.84 KMT2A (0.60) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL28560551 0.83 KDM4E (0.63) SMN1; SMN2KMT2AKDM4EHSD17B10POLB
SCHEMBL2845248 0.82 MEN1 (0.55) MAPK1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL12857834 0.82 PYGM (0.57) MEN1KMT2AKDM4EHSD17B10POLB
SCHEMBL17037019 0.81 MEN1 (0.71) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL28264707 0.81 KDM4E (0.61) SMN1; SMN2KMT2AKDM4EHSD17B10POLB
SCHEMBL14338249 0.81 MTNR1B (0.69) MAPK1NPC1RAB9ASMN1; SMN2MEN1

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
EP-1225894-B1 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2006-07-05 EP disclosed
US-6730684-B1 KEY REGULATORY POINT IN THE OVERALL SYNTHETIC PATHWAY OF BACTERIAL FATTY ACID BIOSYNTHESIS; FABI IS AN IDEAL TARGET FOR ANTIBACTERIAL INTERVENTION AFFINIUM PHARMACEUTICALS, INC. (CA) 2004-05-04 US disclosed
EP-1225894-A4 FAB I INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-01-08 EP disclosed
EP-1225894-A1 FAB I INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-07-31 EP disclosed
WO-2001026652-A1 FAB I INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-19 WO disclosed