SCHEMBL9682289

SCHEMBL9682289

CCCCCCCCCOc1cccc(-c2ccccc2-c2cccc(C#N)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
TSHR P16473 1/20 0.49
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PTPN11 Q06124 3/20 0.46
LTA4H P09960 1/20 0.46
PLA2G4B P0C869 2/20 0.45
SMPD1 P17405 3/20 0.45
ADRA2C P18825 1/20 0.45
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 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
SCHEMBL8215684 0.87 CNR1 (0.43) CNR1CNR2TSHRCYP11B1CYP11B2
SCHEMBL8214987 0.87 CNR1 (0.43) CNR1CNR2TSHRCYP11B1CYP11B2
SCHEMBL8209308 0.87 CNR1 (0.43) CNR1CNR2TSHRCYP11B1CYP11B2
SCHEMBL8208402 0.87 CNR1 (0.43) CNR1CNR2TSHRCYP11B1CYP11B2
SCHEMBL8214940 0.87 CNR1 (0.43) CNR1CNR2TSHRCYP11B1CYP11B2
SCHEMBL12879202 0.86 CYP11B1 (0.57) TSHRCYP11B1CYP11B2KDM4EALDH1A1
SCHEMBL25168671 0.86 TSHR (0.59) TSHRCYP11B1CYP11B2KDM4EALDH1A1
SCHEMBL6960220 0.86 TSHR (0.59) TSHRCYP11B1CYP11B2KDM4EALDH1A1
SCHEMBL6957299 0.86 TSHR (0.59) TSHRCYP11B1CYP11B2KDM4EALDH1A1
SCHEMBL14034743 0.86 TSHR (0.59) TSHRCYP11B1CYP11B2KDM4EALDH1A1

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
US-5094776-A Cyanobiphenyls and ester and ether derivatives CHISSO CORPORATION (JP) 1992-03-10 US disclosed
US-5085799-A Mixtures of cyanobiphenyls CHISSO CORPORATION (JP) 1992-02-04 US disclosed
EP-0347468-A1 LIQUID CRYSTAL COMPOSITION Chisso Corporation (JP) 1989-12-27 EP disclosed