SCHEMBL6943577

SCHEMBL6943577

Cc1cc(F)ccc1Cc1cccc(C(=O)CC(=O)C(=O)O)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.66
ERCC5 P28715 6/20 0.47
FEN1 P39748 6/20 0.47
MRGPRX4 Q96LA9 1/20 0.46
KDM4E B2RXH2 3/20 0.40
MAPT P10636 3/20 0.40
HPGD P15428 3/20 0.40
HTT P42858 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 2/20 0.40
TSHR P16473 2/20 0.40
KMT2A Q03164 2/20 0.40
SLC16A3 O15427 1/20 0.40
KCNH2 Q12809 1/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HAO1 Q9UJM8 1/20 0.40

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
SCHEMBL6947076 0.88 PTPN1 (0.77) PTPN1ERCC5FEN1KDM4EMAPT
SCHEMBL7665038 0.86 PTPN1 (0.74) PTPN1ERCC5FEN1HPGDMEN1
SCHEMBL6951510 0.85 PTPN1 (0.66) PTPN1ERCC5FEN1KDM4EMAPT
SCHEMBL6946936 0.85 PTPN1 (0.66) PTPN1ERCC5FEN1MRGPRX4MAPT
SCHEMBL6945660 0.85 PTPN1 (0.73) PTPN1ERCC5FEN1MRGPRX4HAO1
SCHEMBL6948227 0.85 PTPN1 (0.77) PTPN1ERCC5FEN1MRGPRX4KDM4E
SCHEMBL6943572 0.83 PTPN1 (0.69) PTPN1ERCC5FEN1KDM4EMAPT
SCHEMBL6949871 0.82 PTPN1 (0.67) PTPN1ERCC5FEN1LMNAHAO1
SCHEMBL6948224 0.80 PTPN1 (0.65) PTPN1ERCC5FEN1MRGPRX4HAO1
SCHEMBL7072874 0.80 PTPN1 (1.00) PTPN1ERCC5FEN1MRGPRX4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1082121-A4 HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2003-02-05 EP claimed
US-6380249-B1 HIV integrase inhibitors MERCK & CO., INC. 2002-04-30 US claimed
EP-1082121-A1 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2001-03-14 EP claimed
WO-1999062520-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 1999-12-09 WO claimed
EP-1082121-A4 HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2003-02-05 EP disclosed
US-6380249-B1 HIV integrase inhibitors MERCK & CO., INC. 2002-04-30 US disclosed
EP-1082121-A1 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2001-03-14 EP disclosed
WO-1999062520-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 1999-12-09 WO disclosed