SCHEMBL11765490

SCHEMBL11765490

O=C(O)c1cc(-c2nc3ccccc3o2)ccc1C=Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.57
RAB9A P51151 9/20 0.50
NPC1 O15118 9/20 0.50
KDM4E B2RXH2 8/20 0.50
ALDH1A1 P00352 6/20 0.50
HPGD P15428 6/20 0.50
SMN1; SMN2 Q16637 6/20 0.50
HSD17B10 Q99714 3/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NFKB1 P19838 3/20 0.47
NFKB2 Q00653 3/20 0.47
RELA Q04206 3/20 0.47
GAA P10253 2/20 0.47
GLA P06280 1/20 0.47
HTT P42858 1/20 0.47
TP53 P04637 4/20 0.47
STAT1 P42224 2/20 0.46
HCRTR1 O43613 2/20 0.46
LMNA P02545 1/20 0.46

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
Hydrochloric Acid SCHEMBL11779586 0.99 MAPT (0.56) MAPTRAB9ANPC1KDM4EALDH1A1
SCHEMBL11449360 0.88 NPC1 (0.50) MAPTRAB9ANPC1KDM4EALDH1A1
SCHEMBL11441536 0.88 NPC1 (0.50) MAPTRAB9ANPC1KDM4EALDH1A1
SCHEMBL9359760 0.82 NPC1 (0.50) MAPTRAB9ANPC1KDM4EALDH1A1
SCHEMBL9359752 0.82 NPC1 (0.50) MAPTRAB9ANPC1KDM4EALDH1A1
SCHEMBL5708166 0.81 NPC1 (0.63) MAPTRAB9ANPC1KDM4EALDH1A1
SCHEMBL5708171 0.81 NPC1 (0.63) MAPTRAB9ANPC1KDM4EALDH1A1
SCHEMBL8155474 0.81 NPC1 (0.60) MAPTRAB9ANPC1KDM4EALDH1A1
SCHEMBL11466870 0.81 NPC1 (0.50) MAPTRAB9ANPC1KDM4EALDH1A1
SCHEMBL11466871 0.81 NPC1 (0.50) MAPTRAB9ANPC1KDM4EALDH1A1

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
US-4001221-A OPTICAL BRIGHTENERS HOECHST AKTIENGESELLSCHAFT (DT) 1977-01-04 US disclosed