SCHEMBL7702356

SCHEMBL7702356

O=C(O)CCCOc1c(S)cccc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
FFAR4 Q5NUL3 5/20 0.40
PYGL P06737 1/20 0.39
CNR2 P34972 1/20 0.39
FFAR1 O14842 1/20 0.39
TSHR P16473 1/20 0.39
CYSLTR2 Q9NS75 2/20 0.38
CYSLTR1 Q9Y271 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
PTK2B Q14289 1/20 0.38
PPARA Q07869 1/20 0.38
MEN1 O00255 1/20 0.37
HIF1A Q16665 1/20 0.37
MAPK1 P28482 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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) FFAR4FFAR1TSHRALDH1A1PPARA
SCHEMBL16534370 0.79 MAPT (0.50) MAPTHDAC8TSHRKMT2AALDH1A1
SCHEMBL7695342 0.78 HPGD (0.44) FFAR4TSHRKMT2AALDH1A1MEN1
SCHEMBL28518169 0.74 MAPT (0.57) MAPTHDAC8TSHRALDH1A1MAPK1
SCHEMBL5512465 0.73 ALDH1A1 (0.69) FFAR4CNR2TSHRKMT2AALDH1A1
SCHEMBL3661217 0.73 ALDH1A1 (0.50) FFAR4CNR2TSHRKMT2AALDH1A1
SCHEMBL1001181 0.73 MAPT (0.55) MAPTHDAC8KMT2AALDH1A1MEN1
SCHEMBL9780586 0.71 KMT2A (0.65) FFAR4PYGLFFAR1TSHRKMT2A
SCHEMBL17980842 0.71 TSHR (0.53) TSHRKMT2AALDH1A1MEN1MAPK1
Methane SCHEMBL8160157 0.70 LMNA (0.39) MAPTCYSLTR2CYSLTR1ALDH1A1

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