SCHEMBL9119892

SCHEMBL9119892

C=C(C#CC(=C)c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
CES1 P23141 3/20 0.42
MAPK1 P28482 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP3A4 P08684 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALDH1A1 P00352 3/20 0.41
CES2 O00748 2/20 0.41
TSHR P16473 2/20 0.41
DAO P14920 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
POLB P06746 2/20 0.40
USP2 O75604 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
SCHEMBL6680904 0.83 APP (0.48) MAPTMEN1KMT2ASMN1; SMN2CYP3A4
SCHEMBL11720470 0.81 AKT1 (0.40) MAPTCES1MAPK1MEN1KMT2A
SCHEMBL31147016 0.79 MAPT (0.34) MAPTCES1MAPK1MEN1KMT2A
SCHEMBL146099 0.78 CES1 (0.43) MAPTCES1MAPK1MEN1KMT2A
SCHEMBL6865935 0.78 MAOA (0.41) MAPTCES1MAPK1MEN1KMT2A
SCHEMBL330617 0.78 ALDH1A1 (0.42) MAPTCES1MAPK1MEN1KMT2A
SCHEMBL1498036 0.78 MAOA (0.44) MAPTCES1MEN1KMT2ASMN1; SMN2
SCHEMBL13077423 0.76 APP (0.45) MAPTMEN1KMT2ATDP1CES2
Methane SCHEMBL10894930 0.76 ALDH1A1 (0.41) MAPTCES1MAPK1MEN1KMT2A
SCHEMBL8829796 0.75 MAPT (0.46) MAPTCES1MAPK1MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5388328-A Forming metal layer, forming resist, filling windows in resist with conductor by plating, forming another windowed resist, filling windows with conductor, dissolving resist, filling spacings with varnish, curing HITACHI, LTD. (JP) 1995-02-14 US disclosed
US-4010082-A Divinylacetylenes as polymerization inhibitors for acrylic and methacrylic acid ROHM AND HAAS COMPANY (US) 1977-03-01 US disclosed