SCHEMBL9737006

SCHEMBL9737006

CCCCCCOc1ccc(C(=O)Oc2ccc(-c3ccccc3)cc2)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.55
RARA P10276 1/20 0.55
PTPN11 Q06124 3/20 0.51
FAAH O00519 6/20 0.48
HDAC3 O15379 2/20 0.48
HDAC4 P56524 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC9 Q9UKV0 2/20 0.48
HDAC5 Q9UQL6 2/20 0.48
MCL1 Q07820 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
NPC1 O15118 1/20 0.47

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
SCHEMBL9842460 0.86 RARB (0.61) RARBRARAFAAHNFKB1NFKB2
SCHEMBL9842575 0.86 RARB (0.61) RARBRARAFAAHNFKB1NFKB2
SCHEMBL9842396 0.85 RARB (0.62) RARBRARAFAAHNFKB1NFKB2
SCHEMBL12741996 0.84 PTPN11 (0.50) RARBRARAPTPN11MCL1NFKB1
SCHEMBL12741994 0.84 PTPN11 (0.50) RARBRARAPTPN11MCL1NFKB1
SCHEMBL12741998 0.84 PTPN11 (0.50) RARBRARAPTPN11MCL1NFKB1
SCHEMBL10535052 0.83 PTPN11 (0.56) PTPN11FAAHHDAC8NFKB1NFKB2
SCHEMBL9627302 0.83 TSHR (0.47) RARBRARAPTPN11NFKB1NFKB2
SCHEMBL9626925 0.82 RARB (0.46) RARBRARAPTPN11NFKB1NFKB2
SCHEMBL9628368 0.82 RARB (0.46) RARBRARAPTPN11NFKB1NFKB2

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
US-5098599-A Aromatic esters with sulfide groups as liquid crystals MITSUBISHI RAYON COMPANY LTD. (JP) 1992-03-24 US disclosed