SCHEMBL8201029

SCHEMBL8201029

CCCCCCCCCCCOC(=O)c1ccc(-c2cc(OC(=O)CCCCCCCCC)ccc2C(=O)O)cc1F

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.47
RARA P10276 2/20 0.47
MCL1 Q07820 1/20 0.46
RARG P13631 1/20 0.46
PTPN11 Q06124 6/20 0.43
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL8201152 1.00 RARB (0.47) RARBRARAMCL1RARGPTPN11
SCHEMBL8190501 1.00 RARB (0.47) RARBRARAMCL1RARGPTPN11
SCHEMBL8200474 0.96 RARB (0.47) RARBRARAMCL1RARGPTPN11
SCHEMBL7753944 0.88 TSHR (0.51) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL7760864 0.87 RARB (0.45) RARBRARAMCL1RARGPTPN11
SCHEMBL8202014 0.87 PTPN11 (0.53) RARBPTPN11TSHRALDH1A1LMNA
SCHEMBL8908795 0.85 ALDH1A1 (0.50) RARBRARAMCL1RARGPTPN11
SCHEMBL8201150 0.82 MAPT (0.51) TSHRALDH1A1LMNACYP3A4
SCHEMBL8190500 0.82 MAPT (0.51) TSHRALDH1A1LMNACYP3A4
SCHEMBL8201026 0.82 MAPT (0.51) TSHRALDH1A1LMNACYP3A4

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