SCHEMBL9614908

SCHEMBL9614908

C=CCc1cc(OCCCCCCCCCCCC)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.53
CNR2 P34972 5/20 0.51
CNR1 P21554 1/20 0.51
GABRA1 P14867 3/20 0.50
GABRB2 P47870 3/20 0.50
LTA4H P09960 1/20 0.46
TSHR P16473 2/20 0.44
POLB P06746 1/20 0.44
TP53 P04637 1/20 0.44
PLA2G4B P0C869 1/20 0.43

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
Methane SCHEMBL10531602 0.99 NR5A1 (0.51) NR5A1CNR2CNR1GABRA1GABRB2
SCHEMBL8416721 0.97 CNR2 (0.53) NR5A1CNR2CNR1GABRA1GABRB2
SCHEMBL3390271 0.91 GABRA1 (0.57) NR5A1CNR2CNR1GABRA1GABRB2
SCHEMBL2840063 0.85 CNR2 (0.53) NR5A1CNR2CNR1LTA4H
SCHEMBL11606405 0.84 NR5A1 (0.59) NR5A1CNR2CNR1LTA4HTSHR
SCHEMBL26334343 0.84 NR5A1 (0.59) NR5A1CNR2CNR1LTA4HTSHR
SCHEMBL9614914 0.84 GABRA1 (0.56) CNR2CNR1GABRA1GABRB2POLB
SCHEMBL8417780 0.84 GABRA1 (0.51) CNR2CNR1GABRA1GABRB2POLB
SCHEMBL28074252 0.83 CNR2 (0.58) NR5A1CNR2CNR1LTA4HTSHR
SCHEMBL11801680 0.83 CNR2 (0.61) NR5A1CNR2CNR1LTA4HTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0502141-A4 PRINTABLE PAPER COATING COMPOSITION 1992-11-19 EP claimed
EP-0502141-A1 PRINTABLE PAPER COATING COMPOSITION BASF CORPORATION (US) 1992-09-09 EP claimed
WO-1992003288-A1 PRINTABLE PAPER COATING COMPOSITION BASF CORPORATION (US) 1992-03-05 WO claimed
EP-0502141-A4 PRINTABLE PAPER COATING COMPOSITION 1992-11-19 EP disclosed
EP-0502141-A1 PRINTABLE PAPER COATING COMPOSITION BASF CORPORATION (US) 1992-09-09 EP disclosed
WO-1992003288-A1 PRINTABLE PAPER COATING COMPOSITION BASF CORPORATION (US) 1992-03-05 WO disclosed