SCHEMBL8196394

SCHEMBL8196394

CCCCCCCCCCC(=O)OC1(c2ccccc2C(=O)O[C@H](C)CCCC)C=CC(C(=O)O)C=C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
RECQL P46063 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
EPHX2 P34913 1/20 0.33
LMNA P02545 3/20 0.33
TSHR P16473 1/20 0.33
CA2 P00918 1/20 0.32
CYP3A4 P08684 1/20 0.32
PPARG P37231 1/20 0.32
SCN1A P35498 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN3A Q9NY46 1/20 0.32
MAPT P10636 1/20 0.32
POLM Q9NP87 1/20 0.31

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
SCHEMBL8213912 0.98 ALDH1A1 (0.53) ALDH1A1KDM4EKMT2AMEN1RECQL
SCHEMBL8197821 0.98 ALDH1A1 (0.53) ALDH1A1KDM4EKMT2AMEN1RECQL
SCHEMBL8197937 0.98 ALDH1A1 (0.53) ALDH1A1KDM4EKMT2AMEN1RECQL
SCHEMBL8201146 0.98 ALDH1A1 (0.53) ALDH1A1KDM4EKMT2AMEN1RECQL
SCHEMBL8200967 0.98 ALDH1A1 (0.53) ALDH1A1KDM4EKMT2AMEN1RECQL
SCHEMBL8190258 0.98 ALDH1A1 (0.53) ALDH1A1KDM4EKMT2AMEN1RECQL
SCHEMBL8197560 0.86 ALDH1A1 (0.46) ALDH1A1KDM4EKMT2AMEN1RECQL
SCHEMBL19463002 0.85 ALDH1A1 (0.55) ALDH1A1KDM4EKMT2AMEN1RECQL
SCHEMBL8202001 0.85 ALDH1A1 (0.51) ALDH1A1KDM4EL3MBTL1LMNATSHR
SCHEMBL8197506 0.84 ALDH1A1 (0.48) ALDH1A1KDM4EKMT2AMEN1RECQL

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