SCHEMBL8392192

SCHEMBL8392192

[NH]CC(=O)CCC1CCC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.42
TP53 P04637 1/20 0.38
HSD11B1 P28845 1/20 0.36
ALDH1A1 P00352 4/20 0.35
ATM Q13315 1/20 0.35
GAA P10253 1/20 0.34
NPC1 O15118 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALOX5 P09917 1/20 0.33
ALPL P05186 1/20 0.33

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
SCHEMBL8395158 0.95 HPGD (0.47) HPGDTP53HSD11B1ALDH1A1ATM
SCHEMBL8393926 0.93 HPGD (0.50) HPGDTP53HSD11B1ALDH1A1ATM
SCHEMBL8397072 0.93 HPGD (0.50) HPGDTP53HSD11B1ALDH1A1ATM
SCHEMBL8391882 0.91
SCHEMBL8393326 0.87 KDM5A (0.37) HPGDNPC1RAB9A
SCHEMBL8392067 0.83 KDM5A (0.40) HPGDTP53NPC1RAB9AMEN1
SCHEMBL8028929 0.81 ITGB3 (0.41)
SCHEMBL8391855 0.81 CYP1A2 (0.43) HPGDNPC1RAB9A
SCHEMBL8392605 0.81 CYP1A2 (0.43) HPGDNPC1RAB9A
SCHEMBL27940250 0.80 HPGD (0.54) HPGDTP53HSD11B1ALDH1A1ATM

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-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
EP-0392317-B1 Benzimidazoles, drugs containing these compounds and process for their preparation THOMAE GMBH DR K (DE) 1996-01-03 EP disclosed
EP-0392317-A2 Benzimidazoles, drugs containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1990-10-17 EP disclosed