SCHEMBL8201147

SCHEMBL8201147

CCCCCCCCCCCCC(=O)Oc1ccc(C(=O)O)c(-c2ccc(C(=O)O[C@H](C)CCCCCC)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
PTPN11 Q06124 5/20 0.44
KMT2A Q03164 4/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TSHR P16473 1/20 0.39
RARB P10826 4/20 0.38
MEN1 O00255 2/20 0.38
KDM4E B2RXH2 1/20 0.38
RECQL P46063 1/20 0.38
ALOX15 P16050 1/20 0.38
PLK1 P53350 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLC22A2 O15244 1/20 0.37
TMPRSS2 O15393 1/20 0.37
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
PLG P00747 1/20 0.37
F12 P00748 1/20 0.37
PLAU P00749 1/20 0.37

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
SCHEMBL8200970 1.00 ALDH1A1 (0.50) ALDH1A1PTPN11KMT2ANPC1RAB9A
SCHEMBL8197939 1.00 ALDH1A1 (0.50) ALDH1A1PTPN11KMT2ANPC1RAB9A
SCHEMBL8213916 1.00 ALDH1A1 (0.50) ALDH1A1PTPN11KMT2ANPC1RAB9A
SCHEMBL8190260 1.00 ALDH1A1 (0.50) ALDH1A1PTPN11KMT2ANPC1RAB9A
SCHEMBL8197823 1.00 ALDH1A1 (0.50) ALDH1A1PTPN11KMT2ANPC1RAB9A
SCHEMBL8196397 0.98 ALDH1A1 (0.47) ALDH1A1PTPN11KMT2ANPC1RAB9A
SCHEMBL9797064 0.90 PTPN11 (0.47) ALDH1A1PTPN11KMT2ANPC1RAB9A
SCHEMBL9239152 0.89 ALDH1A1 (0.46) ALDH1A1PTPN11KMT2ANPC1RAB9A
SCHEMBL8908795 0.88 ALDH1A1 (0.50) ALDH1A1PTPN11KMT2ANPC1RAB9A
SCHEMBL9193087 0.87 PTPN11 (0.60) ALDH1A1PTPN11TSHRRARBPLK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0718274-B1 Two-rings-containing phenyl ester compound and anti-ferroelectric liquid crystal composition containing the same MITSUBISHI GAS CHEMICAL CO (JP) 2000-02-09 EP disclosed
US-6018070-A WHEN INCORPORATED AS A COMPONENT FOR AN ANTIFERROELECTRIC LIQUID CRYSTAL COMPOSITION THE NOVEL TWO-RING-CONTAINING COMPOUND INCREASES THE RESPONSE SPEED OF THE COMPOSITION IN A BROAD TEMPERATURE RANGE MITSUBISHI GAS CHEMICALS COMPANY, INC. (JP) 2000-01-25 US disclosed
US-5660762-A HIGH DISPLAY QUALITY IN BROAD TEMPERATURE RANGE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1997-08-26 US disclosed
EP-0718274-A1 Two-rings-containing phenyl ester compound and anti-ferroelectric liquid crystal composition containing the same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1996-06-26 EP disclosed