SCHEMBL9735856

SCHEMBL9735856

CCCCCCCCCCOc1cccc(O)c1-c1ccccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
NR1I2 O75469 1/20 0.49
CHRM2 P08172 1/20 0.49
CYP3A4 P08684 1/20 0.49
ADRA2A P08913 1/20 0.49
OPRK1 P41145 1/20 0.49
HTR2B P41595 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
PTPN11 Q06124 1/20 0.44
CNR1 P21554 4/20 0.44
CNR2 P34972 4/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP19A1 P11511 1/20 0.43
JAK2 O60674 1/20 0.43

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
SCHEMBL9464454 1.00 LMNA (0.49) LMNAMAPTMEN1NR1I2CHRM2
SCHEMBL2171410 0.94 CYP1A2 (0.49) LMNAMAPTMEN1NR1I2CHRM2
SCHEMBL28237951 0.90 LMNA (0.46) LMNAMAPTMEN1NR1I2CHRM2
SCHEMBL27980667 0.86 LMNA (0.53) LMNAMAPTMEN1NR1I2CHRM2
SCHEMBL9123355 0.86 LMNA (0.53) LMNAMAPTMEN1NR1I2CHRM2
SCHEMBL9257284 0.86 LMNA (0.53) LMNAMAPTMEN1NR1I2CHRM2
SCHEMBL29205221 0.85 CNR2 (0.50) LMNAMAPTMEN1NR1I2CHRM2
SCHEMBL28236854 0.84 CYP1A2 (0.46) LMNAMAPTMEN1NR1I2CHRM2
SCHEMBL3187650 0.82 PDK2 (0.50) LMNAMAPTMEN1KMT2AJAK2
SCHEMBL30396958 0.82 PDK2 (0.50) LMNAMAPTMEN1KMT2AJAK2

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 2 patents. 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
EP-0354355-A1 Optically active compound and liquid crystal composition MITSUBISHI RAYON CO., LTD. (JP) 1990-02-14 EP disclosed