SCHEMBL7848640

SCHEMBL7848640

CC(C)Oc1cccc([Mg]Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
GAA P10253 2/20 0.41
HTT P42858 1/20 0.41
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
CNR1 P21554 1/20 0.38
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NSD2 O96028 1/20 0.38
WDR5 P61964 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
P2RX3 P56373 1/20 0.37
PTPN5 P54829 1/20 0.36

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
SCHEMBL7848615 0.82 GPBAR1 (0.43) GAAALDH1A1
SCHEMBL635453 0.81 RXRA (0.42) RXRARXRBKMT2AMEN1GAA
SCHEMBL21225856 0.81 DRD1 (0.42) KMT2AMEN1GAAHTTSMN1; SMN2
SCHEMBL2968363 0.79 RXRA (0.53) RXRARXRBKMT2AMEN1GAA
SCHEMBL1794814 0.78 ACHE (0.50) ALDH1A1SMN1; SMN2CA2NPC1RAB9A
SCHEMBL7851290 0.77 TRIM24 (0.43) LMNAKAT6A
Bromide SCHEMBL1021629 0.76 ACHE (0.48) ALDH1A1SMN1; SMN2CA2NPC1RAB9A
SCHEMBL7852512 0.75 ALDH1A3 (0.47) KMT2AMEN1GAAALDH1A1KDM4E
SCHEMBL231105 0.74 RXRA (0.46) RXRARXRBKMT2AMEN1GAA
SCHEMBL105734 0.74 OGG1 (0.57) RXRARXRBKMT2AMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0953564-B1 Process for preparing 2-cyanobiphenyl compound SUMIKA FINE CHEMICALS CO LTD (JP) 2001-06-13 EP disclosed
EP-0854135-B1 Process for preparing 2-cyanobiphenyl compound SUMIKA FINE CHEMICALS CO LTD (JP) 2000-02-02 EP disclosed
US-5998652-A Process for preparing 2-cyanobiphenyl compound SUMIKA FINE CHEMICALS CO., LTD. (JP) 1999-12-07 US disclosed
EP-0953564-A1 Process for preparing 2-cyanobiphenyl compound SUMIKA FINE CHEMICALS Co., Ltd. (JP) 1999-11-03 EP disclosed
EP-0854135-A2 Process for preparing 2-cyanobiphenyl compound SUMIKA FINE CHEMICALS Co., Ltd. (JP) 1998-07-22 EP disclosed