SCHEMBL8690930

SCHEMBL8690930

CC[CH]NC(=O)C1CCC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
NAAA Q02083 1/20 0.43
GAA P10253 1/20 0.42
EPHX1 P07099 1/20 0.41
HPGD P15428 3/20 0.39
ALDH1A1 P00352 2/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 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
SCHEMBL8691320 0.95 HSD17B10 (0.48) HSD17B10SMN1; SMN2HDAC8HDAC6NAAA
SCHEMBL8690266 0.93 HDAC8 (0.52) HSD17B10SMN1; SMN2HDAC8HDAC6NAAA
SCHEMBL8692169 0.93 HDAC8 (0.52) HSD17B10SMN1; SMN2HDAC8HDAC6NAAA
SCHEMBL5509671 0.91
SCHEMBL8690054 0.85 NAAA (0.43) HSD17B10SMN1; SMN2HDAC8HDAC6NAAA
SCHEMBL8690422 0.81 NAAA (0.47) HSD17B10SMN1; SMN2HDAC8HDAC6NAAA
SCHEMBL8693480 0.79 NAAA (0.50) HSD17B10SMN1; SMN2HDAC8HDAC6NAAA
SCHEMBL8694321 0.79 NAAA (0.50) HSD17B10SMN1; SMN2HDAC8HDAC6NAAA
SCHEMBL8691177 0.79
SCHEMBL5846307 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5827863-A Pyrazole derivatives as angiotensin II antagonists J. URIACH & CIA, S.A. (ES) 1998-10-27 US disclosed
WO-1996004273-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA, S.A. (ES) 1996-02-15 WO disclosed