SCHEMBL9540986

SCHEMBL9540986

CCCOc1ccc(-c2ccc(C3CCC(/C=C/Cl)CC3)cc2)cc1F.CCOCc1ccc(-c2ccc(C3CCC(/C=C/Cl)CC3)cc2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 5/20 0.38
GBA1 P04062 2/20 0.32
LCT P09848 2/20 0.32
UGCG Q16739 2/20 0.32
GBA2 Q9HCG7 2/20 0.32
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
FAAH O00519 1/20 0.32
KDM1A O60341 2/20 0.32
FPR2 P25090 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
PRMT5 O14744 1/20 0.31
NR1H4 Q96RI1 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
SCHEMBL8962946 0.91 HRH3 (0.36) KDM1AFPR2HRH3PRMT5NR1H4
SCHEMBL8962940 0.91 HRH3 (0.36) KDM1AFPR2HRH3PRMT5NR1H4
SCHEMBL8962990 0.84 KDM1A (0.44) NAAAFAAHKDM1AFPR2HRH3
SCHEMBL8962982 0.84 KDM1A (0.44) NAAAFAAHKDM1AFPR2HRH3
SCHEMBL8962789 0.80 NAAA (0.34) NAAAGBA1LCTUGCGGBA2
SCHEMBL8962781 0.80 NAAA (0.34) NAAAGBA1LCTUGCGGBA2
SCHEMBL8963174 0.79 FFAR4 (0.31) NR1H4
SCHEMBL8963181 0.79 FFAR4 (0.31) NR1H4
SCHEMBL8962633 0.79 HDAC2 (0.33) NR1H4
SCHEMBL8962629 0.79 HDAC2 (0.33) NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993007234-A1 HALOVINYL-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1993-04-15 WO disclosed