SCHEMBL7987121

SCHEMBL7987121

Cc1ccc(OCCc2c[nH]c(OC(=O)C(=O)Oc3nc(CCOc4ccc(C)cc4)c[nH]3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
KCNH2 Q12809 1/20 0.42
NPC1 O15118 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.38
GPR84 Q9NQS5 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ATAD2 Q6PL18 1/20 0.38
KDM4E B2RXH2 1/20 0.38
RAB9A P51151 1/20 0.38
MCL1 Q07820 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 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
SCHEMBL7988354 0.85 SMN1; SMN2 (0.45) SMN1; SMN2L3MBTL1NPC1MEN1KMT2A
SCHEMBL7991433 0.76 ALDH1A1 (0.43) SMN1; SMN2L3MBTL1NPC1ALDH1A1RAB9A
Oxalic Acid SCHEMBL7987116 0.71 L3MBTL1 (0.49) SMN1; SMN2L3MBTL1KCNH2NPC1MEN1
SCHEMBL4378007 0.71 KMT2A (0.48) MEN1KMT2AALDH1A1HRH3
SCHEMBL4394315 0.69 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1KCNH2MEN1KMT2A
SCHEMBL2697602 0.65 L3MBTL1 (0.59) SMN1; SMN2L3MBTL1NPC1MEN1KMT2A
SCHEMBL15908103 0.65 GAA (0.62) SMN1; SMN2L3MBTL1NPC1MEN1KMT2A
SCHEMBL7064531 0.64 LMNA (0.70) L3MBTL1KMT2AALDH1A1GAARAB9A
SCHEMBL10272586 0.64 HIF1A (0.57) SMN1; SMN2KCNH2NPC1ALDH1A1HRH3
SCHEMBL313373 0.64 DRD2 (0.64) L3MBTL1KCNH2NPC1MEN1KMT2A

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
WO-1996029315-A2 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 (ANT)AGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1996-09-26 WO claimed
US-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US disclosed