SCHEMBL8198219

SCHEMBL8198219

CCCCCCCCCCC(=O)Oc1ccc(C(=O)O)c(-c2ccc(C(=O)O[C@H](C)CCCCCCCC)cc2F)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
RARB P10826 1/20 0.38
PTPN11 Q06124 3/20 0.38
KMT2A Q03164 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
RECQL P46063 1/20 0.36
PLK1 P53350 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MCL1 Q07820 1/20 0.35
PTGS2 P35354 3/20 0.35
ESR1 P03372 1/20 0.35
FAAH O00519 1/20 0.35

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
SCHEMBL8213916 0.87 ALDH1A1 (0.50) ALDH1A1RARBPTPN11KMT2ANPC1
SCHEMBL8200970 0.87 ALDH1A1 (0.50) ALDH1A1RARBPTPN11KMT2ANPC1
SCHEMBL8197939 0.87 ALDH1A1 (0.50) ALDH1A1RARBPTPN11KMT2ANPC1
SCHEMBL8201147 0.87 ALDH1A1 (0.50) ALDH1A1RARBPTPN11KMT2ANPC1
SCHEMBL8197823 0.87 ALDH1A1 (0.50) ALDH1A1RARBPTPN11KMT2ANPC1
SCHEMBL8190260 0.87 ALDH1A1 (0.50) ALDH1A1RARBPTPN11KMT2ANPC1
SCHEMBL8196397 0.85 ALDH1A1 (0.47) ALDH1A1RARBPTPN11KMT2ANPC1
SCHEMBL8197722 0.85 ALDH1A1 (0.46) ALDH1A1RARBPTPN11KMT2AKDM4E
SCHEMBL8198640 0.85 ALDH1A1 (0.46) ALDH1A1RARBPTPN11KMT2AKDM4E
SCHEMBL8908795 0.85 ALDH1A1 (0.50) ALDH1A1RARBPTPN11KMT2ANPC1

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