SCHEMBL6947108

SCHEMBL6947108

Cc1cc(C)n(Cc2cccc(C(=O)CC(=O)C(=O)O)c2)n1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
RAB9A P51151 1/20 0.52
POLB P06746 1/20 0.52
HIF1A Q16665 1/20 0.52
EPAS1 Q99814 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
PTPN1 P18031 4/20 0.47
ERCC5 P28715 4/20 0.47
FEN1 P39748 4/20 0.47
HTT P42858 1/20 0.46
MAPT P10636 1/20 0.45
KDM4E B2RXH2 1/20 0.44
LMNA P02545 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
SCHEMBL27715515 0.84 HTT (0.56) GAARAB9APOLBHIF1AEPAS1
SCHEMBL6950593 0.76 FEN1 (0.57) RAB9ASMN1; SMN2PTPN1ERCC5FEN1
SCHEMBL7665649 0.76 ERCC5 (0.56) RAB9APOLBSMN1; SMN2PTPN1ERCC5
SCHEMBL7667737 0.74 GRM2 (0.57) GAARAB9ASMN1; SMN2PTPN1ERCC5
SCHEMBL3322508 0.73 LMNA (0.61) GAARAB9APOLBSMN1; SMN2HTT
SCHEMBL6948181 0.72 PTPN1 (0.61) RAB9ASMN1; SMN2PTPN1ERCC5FEN1
SCHEMBL28857585 0.72 LMNA (0.66) GAARAB9APOLBHIF1AEPAS1
SCHEMBL28857605 0.72 HIF1A (0.60) GAARAB9APOLBHIF1AEPAS1
SCHEMBL28857591 0.72 HIF1A (0.60) GAARAB9APOLBHIF1AEPAS1
Dimethylamine SCHEMBL6946035 0.72 PTPN1 (0.68) PTPN1ERCC5FEN1LMNA

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