SCHEMBL6619684

SCHEMBL6619684

COC(=O)CC[C@@H]1CCCC[C@@H]1CBr

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.41
TSHR P16473 3/20 0.41
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 4/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KLK7 P49862 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 3/20 0.32
CA12 O43570 1/20 0.32
CA14 Q9ULX7 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL6619689 1.00 EPHX2 (0.41) EPHX2TSHRALDH1A1HSD17B10SMN1; SMN2
SCHEMBL9014358 0.80 CA1 (0.52) EPHX2TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL23666088 0.80 TSHR (0.43) EPHX2TSHRALDH1A1HSD17B10SMN1; SMN2
SCHEMBL6639313 0.79 EPHX2 (0.41) EPHX2TSHRALDH1A1HSD17B10SMN1; SMN2
SCHEMBL29069431 0.79 EPHX2 (0.41) EPHX2TSHRALDH1A1HSD17B10SMN1; SMN2
SCHEMBL6643947 0.79 EPHX2 (0.41) EPHX2TSHRALDH1A1HSD17B10SMN1; SMN2
SCHEMBL9056296 0.77 EPHX2 (0.41) EPHX2TSHRALDH1A1HSD17B10SMN1; SMN2
Hydrochloric Acid SCHEMBL6643943 0.77 EPHX2 (0.41) EPHX2TSHRALDH1A1HSD17B10SMN1; SMN2
Hydrochloric Acid SCHEMBL6644945 0.77 EPHX2 (0.41) EPHX2TSHRALDH1A1HSD17B10SMN1; SMN2
Hydrochloric Acid SCHEMBL6641396 0.77 EPHX2 (0.41) EPHX2TSHRALDH1A1HSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0683781-B1 NOVEL INHIBITORS OF ADENOSINE MONOPHOSPHATE DEAMINASE METABASIS THERAPEUTICS INC (US) 2004-04-21 EP disclosed
US-5731432-A Inhibitors of adenosine monophosphate deaminase GENSIA SICOR INC. (US) 1998-03-24 US disclosed
EP-0683781-A4 NOVEL INHIBITORS OF ADENOSINE MONOPHOSPHATE DEAMINASE. GENSIA PHARMA (US) 1997-05-28 EP disclosed
EP-0683781-A1 NOVEL INHIBITORS OF ADENOSINE MONOPHOSPHATE DEAMINASE GENSIA PHARMACEUTICALS, INC. (US) 1995-11-29 EP disclosed
WO-1994018200-A1 NOVEL INHIBITORS OF ADENOSINE MONOPHOSPHATE DEAMINASE GENSIA, INC. (US) 1994-08-18 WO disclosed