SCHEMBL19263448

SCHEMBL19263448

CCCCc1ccc(OP(Oc2ccccc2CCCC)Oc2ccc(CCCC)cc2CCCC)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.42
MAPT P10636 4/20 0.42
MAPK1 P28482 3/20 0.42
APAF1 O14727 2/20 0.42
THRB P10828 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
RAD52 P43351 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
BLM P54132 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
USP2 O75604 1/20 0.38
XBP1 P17861 1/20 0.38

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
SCHEMBL19263450 0.93 HTT (0.46) HTTMAPTMAPK1APAF1THRB
SCHEMBL3563040 0.88 HTT (0.49) HTTMAPTMAPK1APAF1THRB
SCHEMBL29532511 0.88 HTT (0.49) HTTMAPTMAPK1APAF1THRB
SCHEMBL10602819 0.88 HTT (0.50) HTTMAPTMAPK1APAF1THRB
SCHEMBL29366175 0.86 HTT (0.50) HTTMAPTMAPK1APAF1THRB
SCHEMBL125443 0.86 HTT (0.50) HTTMAPTMAPK1APAF1THRB
SCHEMBL1021215 0.83 THRA (0.44) THRBTHRA
SCHEMBL29643262 0.81 THRA (0.50) THRBTHRA
SCHEMBL268679 0.81 THRA (0.50) THRBTHRA
SCHEMBL21986292 0.80 HTT (0.54) HTTMAPTMAPK1APAF1THRB

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-9737884-B2 Process for catalytic preparation of aldehydes from olefins using monophosphite mixtures EVONIK DEGUSSA GMBH (DE) 2017-08-22 US disclosed