SCHEMBL9626098

SCHEMBL9626098

FC(F)=CCCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.48
GPR52 Q9Y2T5 2/20 0.46
MMP12 P39900 5/20 0.43
ABCC4 O15439 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
PTGS1 P23219 1/20 0.42
HTT P42858 1/20 0.42
MMP13 P45452 4/20 0.42
TAAR1 Q96RJ0 2/20 0.42
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP14 P50281 1/20 0.41
KCNH2 Q12809 1/20 0.41
GPR84 Q9NQS5 1/20 0.41
HDAC2 Q92769 2/20 0.40
NAAA Q02083 1/20 0.39
HDAC1 Q13547 1/20 0.39
SLC13A5 Q86YT5 1/20 0.39

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
SCHEMBL6053648 0.88 TDP1 (0.46) GPR52TAAR1HDAC2HDAC1
SCHEMBL14027713 0.85 MAOB (0.50) PTGS1TAAR1
SCHEMBL14027714 0.83 MAOB (0.48) TAAR1IDO1
SCHEMBL9625858 0.83 CYP1A2 (0.41) FFAR1GPR52TAAR1KCNH2GPR84
SCHEMBL9624346 0.83 MCL1 (0.41)
SCHEMBL9626041 0.83 TAAR1 (0.41) TAAR1GPR84
SCHEMBL9637227 0.81 FFAR1 (0.48) FFAR1GPR52MMP12ABCC4LMNA
SCHEMBL9625570 0.80 RARB (0.51) LMNATSHRPTGS1
SCHEMBL9625566 0.80 HTT (0.45) FFAR1MMP12ABCC4LMNAGAA
SCHEMBL9624964 0.79 RARB (0.53) LMNATSHRPTGS1

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
EP-0325796-B1 A LIQUID CRYSTAL COMPOUND AND A MIXTURE CONTAINING THE SAME Chisso Corporation (JP) 1992-03-11 EP disclosed
US-4877548-A STABLE TO HEAT, LIGHT, ELECTRICITY AND MOISTURE CHISSO CORPORATION (JP) 1989-10-31 US disclosed
EP-0325796-A1 A liquid crystal compound and a mixture containing the same Chisso Corporation (JP) 1989-08-02 EP disclosed