SCHEMBL8608185

SCHEMBL8608185

CCCCCCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)OC(C)CCCCCC)cc2)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50
NPC1 O15118 3/20 0.47
LMNA P02545 3/20 0.47
NFKB1 P19838 3/20 0.47
NFKB2 Q00653 3/20 0.47
RELA Q04206 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TSHR P16473 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 3/20 0.42
MAPT P10636 5/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL10397802 0.97 THRA (0.48) THRATHRBNPC1LMNANFKB1
SCHEMBL10523932 0.95 THRA (0.48) THRATHRBNPC1LMNANFKB1
SCHEMBL9626612 0.90 THRA (0.48) THRATHRBNPC1LMNANFKB1
SCHEMBL9437173 0.90 THRA (0.48) THRATHRBNPC1LMNANFKB1
SCHEMBL29663153 0.89 TSHR (0.48) THRATHRBNPC1LMNANFKB1
SCHEMBL8609019 0.89 TSHR (0.48) THRATHRBNPC1LMNANFKB1
SCHEMBL7796196 0.89 ALDH1A1 (0.42) THRATHRBNPC1LMNANFKB1
SCHEMBL10397801 0.87 ALDH1A1 (0.47) THRATHRBNPC1LMNANFKB1
SCHEMBL9340758 0.87 MAPT (0.39) THRATHRBNPC1LMNANFKB1
SCHEMBL9340763 0.87 MAPT (0.39) THRATHRBNPC1LMNANFKB1

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-0497297-B1 Liquid crystal compound and liquid crystal display device MITSUBISHI GAS CHEMICAL CO (JP) 1998-04-08 EP disclosed
US-5364560-A Liquid crystal compound and liquid crystal display device MITSUBISHI GAS CHEMICAL CO., INC. (JP) 1994-11-15 US disclosed
EP-0497297-A2 Liquid crystal compound and liquid crystal display device MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1992-08-05 EP disclosed