SCHEMBL7796057

SCHEMBL7796057

CCCCCCCCCC(=O)Oc1ccc(C(=O)Oc2ccc(C(=O)OC(C)CCC)c(F)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
MEN1 O00255 2/20 0.39
SLC22A2 O15244 1/20 0.39
TMPRSS2 O15393 1/20 0.39
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
PLG P00747 1/20 0.39
F12 P00748 1/20 0.39
PLAU P00749 1/20 0.39
PLAT P00750 1/20 0.39
KLKB1 P03952 1/20 0.39
HPN P05981 1/20 0.39
CHRM2 P08172 1/20 0.39
SLC6A2 P23975 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
SCHEMBL8861897 1.00 KMT2A (0.41) KMT2ANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL9239149 0.96 ALDH1A1 (0.46) KMT2ANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7796053 0.96 ALDH1A1 (0.46) KMT2ANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7789217 0.96 ALDH1A1 (0.46) KMT2ANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7789247 0.96 ALDH1A1 (0.46) KMT2ANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7798766 0.96 ALDH1A1 (0.46) KMT2ANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7797614 0.96 ALDH1A1 (0.46) KMT2ANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7797623 0.96 ALDH1A1 (0.46) KMT2ANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7789237 0.92 ALDH1A1 (0.46) KMT2ANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7797626 0.92 ALDH1A1 (0.43) KMT2ANPC1RAB9AALDH1A1SMN1; SMN2

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-0829469-B1 Racemic compound and anti-ferroelectric liquid crystal composition MITSUBISHI GAS CHEMICAL CO (JP) 2001-12-05 EP disclosed
US-5951914-A Racemic compound and anti-ferroelectric liquid crystal composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1999-09-14 US disclosed
EP-0829469-A2 Racemic compound and anti-ferroelectric liquid crystal composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1998-03-18 EP disclosed