SCHEMBL7203313

SCHEMBL7203313

C=CCc1cc(C(CCC)c2ccc(O)c(CC=C)c2)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 6/20 0.53
GABRB2 P47870 6/20 0.53
POLB P06746 2/20 0.46
XDH P47989 2/20 0.44
CNR1 P21554 3/20 0.43
CNR2 P34972 3/20 0.43
MEN1 O00255 2/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
ALOX5 P09917 2/20 0.43
GABRB1 P18505 1/20 0.43
RXRA P19793 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
SIRT3 Q9NTG7 1/20 0.43
AKR1B1 P15121 2/20 0.42
ALDH1A1 P00352 3/20 0.39

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
SCHEMBL30002831 0.87 GABRA1 (0.56) GABRA1GABRB2POLBXDHCNR1
SCHEMBL1960997 0.87 GABRA1 (0.56) GABRA1GABRB2POLBXDHCNR1
SCHEMBL18473564 0.82 GABRA1 (0.58) GABRA1GABRB2POLBXDHCNR1
SCHEMBL9816379 0.80 GABRA1 (0.59) GABRA1GABRB2POLBXDHCNR1
SCHEMBL457817 0.80 GABRA1 (0.59) GABRA1GABRB2POLBXDHCNR1
SCHEMBL29386569 0.80 GABRA1 (0.59) GABRA1GABRB2POLBXDHCNR1
SCHEMBL19104737 0.80 GABRA1 (0.63) GABRA1GABRB2POLBXDHCNR1
SCHEMBL19223969 0.79 GABRA1 (0.50) GABRA1GABRB2POLBXDHCNR1
SCHEMBL22588803 0.79 GABRA1 (0.46) GABRA1GABRB2POLBXDHCNR1
SCHEMBL19104733 0.78 GABRA1 (0.61) GABRA1GABRB2POLBXDHCNR1

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
CN-111278896-A Thermosetting resin composition and method for producing same 堺化学工业株式会社 2020-06-12 CN disclosed
US-6603035-B1 A method for producing a high purity cyanate comprising reacting a phenol compound represented by the following formula SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-08-05 US disclosed