SCHEMBL7165192

SCHEMBL7165192

C=CCB(CC=C)c1cccc(OCC)c1CC=C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.34
L3MBTL1 Q9Y468 5/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 3/20 0.33
GAA P10253 2/20 0.33
GABRA1 P14867 2/20 0.32
GABRB2 P47870 2/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GLA P06280 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31

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
SCHEMBL1159080 0.87 CYP1A2 (0.39) ALDH1A1L3MBTL1KDM4EGAAMEN1
SCHEMBL1158609 0.85 MCHR1 (0.38) ALDH1A1TSHRKDM4EMEN1KMT2A
SCHEMBL7165311 0.85 ALDH1A1 (0.43) ALDH1A1TP53TSHRKDM4EGAA
SCHEMBL2846412 0.82 ALDH1A1 (0.44) ALDH1A1L3MBTL1TP53TSHRKDM4E
SCHEMBL7163680 0.79 KDM4E (0.38) ALDH1A1L3MBTL1TP53TSHRKDM4E
SCHEMBL7168095 0.77 GABRA1 (0.35) ALDH1A1KDM4EGAAGABRA1GABRB2
SCHEMBL2839907 0.76 ADRA2A (0.43) ALDH1A1L3MBTL1TP53TSHRKDM4E
SCHEMBL7162109 0.76 MAPT (0.34) ALDH1A1KDM4EGAAGABRA1GABRB2
SCHEMBL2841391 0.76 ALDH1A1 (0.46) ALDH1A1TP53TSHRKDM4EGAA
SCHEMBL460585 0.75 GABRA1 (0.43) ALDH1A1L3MBTL1KDM4EGAAGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0811368-B1 DENTAL PRIMER COMPOSITION AND POLYMERIZATION CATALYST TOKUYAMA CORP (JP) 2003-07-23 EP disclosed
US-5866631-A POLYMERIZABLE MONOMER CONTAINING AN ACIDIC GROUP, WATER, ARYL BORATE AND TRANSITION METAL COMPOUND. TOKUYAMA CORPORATION (JP) 1999-02-02 US disclosed
EP-0811368-A1 DENTAL PRIMER COMPOSITION AND POLYMERIZATION CATALYST TOKUYAMA CORPORATION (JP) 1997-12-10 EP disclosed