SCHEMBL29953650

SCHEMBL29953650

OB(O)c1ccccc1OC/C=C/c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.54
NPC1 O15118 5/20 0.50
POLB P06746 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
IDO1 P14902 2/20 0.47
ENPP2 Q13822 2/20 0.46
CA1 P00915 1/20 0.43
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
PPARD Q03181 2/20 0.40
PPARA Q07869 2/20 0.40
RAB9A P51151 1/20 0.40
PPARG P37231 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
SCHEMBL10616135 0.82 IDO1 (0.61) NPC1POLBMEN1KMT2AIDO1
SCHEMBL10615008 0.82 IDO1 (0.61) NPC1POLBMEN1KMT2AIDO1
SCHEMBL29954982 0.81 LIPE (0.54) LIPENPC1POLBMEN1KMT2A
SCHEMBL12301159 0.78 IDO1 (0.52) NPC1POLBMEN1KMT2AIDO1
SCHEMBL28821754 0.76 LIPE (0.56) LIPEENPP2CA1
SCHEMBL9429242 0.75 ALDH1A1 (0.59) NPC1POLBMEN1KMT2AIDO1
SCHEMBL13600476 0.75 IDO1 (0.56) NPC1POLBMEN1KMT2AIDO1
SCHEMBL29954244 0.75 LIPE (0.54) LIPEENPP2PPARG
SCHEMBL2450007 0.74 ALDH1A1 (0.54) NPC1POLBMEN1KMT2AIDO1
SCHEMBL2450011 0.74 ALDH1A1 (0.54) NPC1POLBMEN1KMT2AIDO1

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed