SCHEMBL8197821

SCHEMBL8197821

CCCCCCCCCCCC(=O)OC1(c2ccccc2C(=O)O[C@H](C)CCCCCC)C=CC(C(=O)O)C=C1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
MEN1 O00255 1/20 0.35
RECQL P46063 1/20 0.35
PPARG P37231 1/20 0.34
MAPT P10636 1/20 0.33
FAAH O00519 4/20 0.33
LMNA P02545 3/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL8200967 1.00 ALDH1A1 (0.53) ALDH1A1KDM4EKMT2AL3MBTL1PRSS1
SCHEMBL8190258 1.00 ALDH1A1 (0.53) ALDH1A1KDM4EKMT2AL3MBTL1PRSS1
SCHEMBL8213912 1.00 ALDH1A1 (0.53) ALDH1A1KDM4EKMT2AL3MBTL1PRSS1
SCHEMBL8201146 1.00 ALDH1A1 (0.53) ALDH1A1KDM4EKMT2AL3MBTL1PRSS1
SCHEMBL8197937 1.00 ALDH1A1 (0.53) ALDH1A1KDM4EKMT2AL3MBTL1PRSS1
SCHEMBL8196394 0.98 ALDH1A1 (0.51) ALDH1A1KDM4EKMT2AL3MBTL1PRSS1
SCHEMBL19463002 0.87 ALDH1A1 (0.55) ALDH1A1KDM4EKMT2AL3MBTL1PRSS1
SCHEMBL8201142 0.86 ALDH1A1 (0.48) ALDH1A1KDM4EKMT2AL3MBTL1PRSS1
SCHEMBL8189181 0.86 ALDH1A1 (0.48) ALDH1A1KDM4EKMT2AL3MBTL1PRSS1
SCHEMBL8197506 0.86 ALDH1A1 (0.48) ALDH1A1KDM4EKMT2AL3MBTL1PRSS1

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