SCHEMBL7695342

SCHEMBL7695342

CSc1cccc(C(=O)O)c1OCCCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.44
KMT2A Q03164 3/20 0.44
HSD17B10 Q99714 2/20 0.44
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.40
HIF1A Q16665 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL7695345 0.81 KDM4E (0.55) HPGDHSD17B10FFAR4TSHRALDH1A1
SCHEMBL7702356 0.78 MAPT (0.46) HPGDKMT2AHSD17B10MEN1HIF1A
SCHEMBL7697660 0.75 TSHR (0.48) HPGDKMT2AHSD17B10TSHRALDH1A1
SCHEMBL8160152 0.74 HPGD (0.44) HPGDKMT2AHSD17B10GAAMEN1
SCHEMBL6946231 0.73 POLB (0.46) HPGDKMT2AHSD17B10GAAMEN1
SCHEMBL4613990 0.72 LMNA (0.51) KMT2AMEN1HIF1ATSHRALDH1A1
SCHEMBL2059516 0.72 KMT2A (0.55) HPGDKMT2AGAAMEN1ALDH1A1
SCHEMBL17980842 0.72 TSHR (0.53) KMT2AMEN1TSHRALDH1A1MAPK1
SCHEMBL27051702 0.70 KMT2A (0.41) HPGDKMT2AHSD17B10FFAR4ALDH1A1
SCHEMBL5512465 0.70 ALDH1A1 (0.69) HPGDKMT2AHSD17B10MEN1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6346527-B1 1-BENZOXEPIN DERIVATIVES USED IN THE PREVENTION OF SODIUM AND HYDROGEN ION EXCHANGE; CARDIOVASCULAR, KIDNEY AND BRAIN DISORDER TREATMENT; ARTERIOSCLEROSIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-12 US disclosed
EP-1073650-A1 GUANIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-02-07 EP disclosed
WO-1999055690-A1 GUANIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-11-04 WO disclosed