SCHEMBL11249977

SCHEMBL11249977

CCCCCCc1cc(CC)ccc1OP(Oc1ccc(CC)cc1CCCCCC)Oc1ccc(CC)cc1CCCCCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.47
MAPT P10636 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPK1 P28482 2/20 0.47
RAD52 P43351 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
APAF1 O14727 2/20 0.45
THRB P10828 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
POLB P06746 1/20 0.41
BLM P54132 1/20 0.41
HTR2A P28223 2/20 0.40
ESR1 P03372 2/20 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
SCHEMBL21986292 0.92 HTT (0.54) HTTMAPTMEN1KMT2AMAPK1
SCHEMBL1100395 0.92 HTT (0.54) HTTMAPTMEN1KMT2AMAPK1
SCHEMBL11023824 0.89 HTT (0.42) HTTMAPTMEN1KMT2AMAPK1
SCHEMBL9377603 0.89 HTT (0.42) HTTMAPTMEN1KMT2AMAPK1
SCHEMBL28739195 0.87 PPARA (0.48) HTTMAPTMEN1KMT2AMAPK1
SCHEMBL3563040 0.85 HTT (0.49) HTTMAPTMEN1KMT2AMAPK1
SCHEMBL10602819 0.85 HTT (0.50) HTTMAPTMEN1KMT2AMAPK1
SCHEMBL29532511 0.85 HTT (0.49) HTTMAPTMEN1KMT2AMAPK1
SCHEMBL29366175 0.85 HTT (0.50) HTTMAPTMEN1KMT2AMAPK1
SCHEMBL125443 0.85 HTT (0.50) HTTMAPTMEN1KMT2AMAPK1

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-4340514-A RESINATES INTERSTAB CHEMICALS INC. (US) 1982-07-20 US disclosed