SCHEMBL7664656

SCHEMBL7664656

COC(=O)/C=C1\CCCCC1OS(C)(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 2/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.30
ENPP3 O14638 1/20 0.30
ENPP1 P22413 1/20 0.30

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
SCHEMBL7664665 1.00 KDM4E (0.33) KDM4EHSD17B10MAPTALDH1A1USP2
SCHEMBL670912 0.70 CA1 (0.45) KDM4EHSD17B10MAPTALDH1A1USP2
SCHEMBL9692068 0.69 ALDH1A1 (0.31) MAPTALDH1A1LMNATSHR
Hydrogen Sulfide SCHEMBL27764012 0.69 CA1 (0.43) KDM4EHSD17B10MAPTALDH1A1USP2
SCHEMBL10471848 0.65 KMT2A (0.42) KDM4EALDH1A1LMNAPOLBTSHR
SCHEMBL10471847 0.65 KMT2A (0.42) KDM4EALDH1A1LMNAPOLBTSHR
SCHEMBL9692780 0.65 SLC6A2 (0.31) MAPTALDH1A1LMNA
SCHEMBL7572218 0.65 DPP4 (0.35) MAPTALDH1A1LMNA
SCHEMBL873013 0.64 TSHR (0.42) KDM4EHSD17B10MAPTALDH1A1LMNA
SCHEMBL8098922 0.62 TSHR (0.41) KDM4EHSD17B10MAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6355640-B1 TREATMENT OF HYPERTENSION, UROGENITAL DISORDERS AND FORMED BY WITTIG REACTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-12 US disclosed
US-5773530-A USEFUL AS PSYCHOSTIMULANTS, ANTIHYPERTENSIVE AGENTS AND REMEDIES FOR RENAL FAILURE, DIURETICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-30 US disclosed
EP-0737193-A1 PYRAZOLOPYRIDINE ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-16 EP disclosed
WO-1995018128-A1 PYRAZOLOPYRIDINE ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-07-06 WO disclosed