SCHEMBL7023922

SCHEMBL7023922

O=C(O)/C=C/c1ccc(OCCn2c(=O)oc3cc(C(=O)c4ccccc4)ccc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.56
ALDH1A1 P00352 3/20 0.50
HPGD P15428 2/20 0.50
SRD5A2 P31213 1/20 0.47
RAB9A P51151 3/20 0.46
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TBXAS1 P24557 2/20 0.43
PPARG P37231 1/20 0.43
MET P08581 1/20 0.43
LTA4H P09960 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.40
ASAH1 Q13510 1/20 0.40

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
SCHEMBL7023926 1.00 SIGMAR1 (0.56) SIGMAR1ALDH1A1HPGDSRD5A2RAB9A
SCHEMBL6476191 0.91 SIGMAR1 (0.55) SIGMAR1ALDH1A1HPGDRAB9ATSHR
SCHEMBL6476194 0.91 SIGMAR1 (0.55) SIGMAR1ALDH1A1HPGDRAB9ATSHR
SCHEMBL6487606 0.89 SIGMAR1 (0.59) SIGMAR1ALDH1A1HPGDRAB9ATSHR
SCHEMBL6477711 0.87 SIGMAR1 (0.56) SIGMAR1ALDH1A1HPGDRAB9ATSHR
SCHEMBL6485663 0.86 RAB9A (0.61) ALDH1A1HPGDRAB9ATSHRSMN1; SMN2
SCHEMBL6485660 0.86 RAB9A (0.61) ALDH1A1HPGDRAB9ATSHRSMN1; SMN2
SCHEMBL6477456 0.84 SIGMAR1 (0.55) SIGMAR1ALDH1A1HPGDRAB9ATSHR
SCHEMBL7028555 0.82 SIGMAR1 (0.57) SIGMAR1ALDH1A1HPGDSRD5A2RAB9A
SCHEMBL6477277 0.82 PPARG (0.58) SIGMAR1ALDH1A1HPGDRAB9ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1252150-B1 HETEROCYCLIC DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2003-06-04 EP disclosed