SCHEMBL3359237

SCHEMBL3359237

C(=C(c1ccccc1)C1CCCCO1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 4/20 0.38
GAA P10253 1/20 0.37
FASN P49327 2/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPY2R P49146 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
AKR1C1 Q04828 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL11795436 0.76 HPGD (0.43) HPGDGAAPOLBAKR1C1
SCHEMBL11795427 0.76 HPGD (0.43) HPGDGAAPOLBAKR1C1
SCHEMBL22772274 0.74 HPGD (0.35) ALDH1A1SMN1; SMN2HPGDAKR1C1
SCHEMBL169922 0.73 MCL1 (0.49) ALDH1A1HPGDGAAFASNHTT
SCHEMBL27709320 0.72 AKR1C1 (0.44) ALDH1A1HPGDHTTPOLBRAB9A
SCHEMBL11205866 0.72 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2HPGDGAAAKR1C1
SCHEMBL18060244 0.72 MCL1 (0.49) ALDH1A1SMN1; SMN2HPGDTP53POLB
SCHEMBL18083089 0.72 MCL1 (0.49) ALDH1A1SMN1; SMN2HPGDTP53POLB
SCHEMBL18060245 0.72 MCL1 (0.49) ALDH1A1SMN1; SMN2HPGDTP53POLB
SCHEMBL10434048 0.71 POLB (0.41) ALDH1A1SMN1; SMN2HPGDGAAHTT

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
WO-2010046926-A2 NOVEL STILBENE ANALOGS APTUIT LAURUS PVT LTD (IN) 2010-04-29 WO disclosed