SCHEMBL8780391

SCHEMBL8780391

CCCCCCCC1(Br)C=CC(c2ccccc2)=CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.36
MMP9 P14780 5/20 0.36
MMP3 P08254 1/20 0.34
MMP8 P22894 2/20 0.33
MMP13 P45452 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
SOAT2 O75908 2/20 0.32
SOAT1 P35610 2/20 0.32
GAA P10253 2/20 0.32
MEN1 O00255 1/20 0.32
ALOX12 P18054 1/20 0.32
KMT2A Q03164 1/20 0.32
CSNK1E P49674 1/20 0.31
HTT P42858 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 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
SCHEMBL28419457 1.00 MMP2 (0.36) MMP2MMP9MMP3MMP8MMP13
SCHEMBL10527601 0.99 MMP2 (0.35) MMP2MMP9MMP3MMP8MMP13
SCHEMBL27794372 0.94 OPRM1 (0.33) MMP2MMP9OPRM1OPRD1OPRK1
SCHEMBL9842362 0.88 KDM1A (0.34)
SCHEMBL8462344 0.82 KDM1A (0.31)
SCHEMBL9060851 0.82 TLR8 (0.32)
SCHEMBL27656124 0.81
SCHEMBL10346700 0.81 MMP2 (0.36) MMP2MMP9MMP3MMP8MMP13
SCHEMBL9852460 0.81 OPRM1 (0.39) MMP2MMP9MMP3MMP8MMP13
SCHEMBL28984993 0.80 MMP2 (0.36) MMP2MMP9MMP3MMP8MMP13

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
CN-115745833-B Preparation method of 4-alkyl-4' -cyanobiphenyl 宁夏中星显示材料有限公司 2024-07-05 CN disclosed
CN-115745833-A Preparation method of 4-alkyl-4' -cyanobiphenyl 宁夏中星显示材料有限公司 2023-03-07 CN disclosed
CN-1203089-C New compound FUJISAWA PHARMACEUTICAL CO (JP) 2005-05-25 CN disclosed
CN-1168675-A Novel compounds FUJISAWA PHARMACEUTICAL CO (JP) 1997-12-24 CN disclosed
EP-0788511-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-13 EP disclosed
EP-0395390-A1 Optically active biphenyl derivative, process for preparation thereof, liquid crystal composition containing the same as effective component, and liquid crystal element using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-10-31 EP disclosed