SCHEMBL20862913

SCHEMBL20862913

CCP(=O)(CC)c1c(OC)ccc(OC)c1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.40
FABP4 P15090 1/20 0.40
FABP5 Q01469 1/20 0.40
MAPT P10636 5/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
USP2 O75604 1/20 0.40
DUSP3 P51452 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTT P42858 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
TACR1 P25103 2/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 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
SCHEMBL20862872 0.89 MAPT (0.35) FABP3FABP4FABP5MAPTMEN1
SCHEMBL366629 0.81 ACHE (0.40) FABP3FABP4FABP5MAPTMEN1
SCHEMBL10177324 0.72 CCNT1 (0.40) FABP3FABP4FABP5MAPTMEN1
SCHEMBL16394537 0.70 FABP3 (0.37) FABP3FABP4FABP5MAPTMEN1
SCHEMBL9177920 0.69 MEN1 (0.41) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL26259629 0.69 MAPT (0.52) FABP3FABP4FABP5MAPTMEN1
SCHEMBL355567 0.68 CA1 (0.57) FABP3FABP4FABP5MAPTMEN1
SCHEMBL28259733 0.68 FABP3 (0.40) FABP3FABP4FABP5MAPTMEN1
Propionaldehyde SCHEMBL27645570 0.68 FABP4 (0.47) FABP3FABP4FABP5MAPTMEN1
SCHEMBL17833949 0.68 CA12 (0.37) MAPTMEN1KMT2AALDH1A1KDM4E

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-3461556-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS AbbVie Ireland Unlimited Company (IE) 2019-04-03 EP disclosed