SCHEMBL8200467

SCHEMBL8200467

CCCCCCCCCC(=O)OC1(c2ccccc2C(=O)OCCC)C=CC(C(=O)O)C=C1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
TSHR P16473 4/20 0.41
LMNA P02545 3/20 0.41
CYP3A4 P08684 2/20 0.39
MAPK1 P28482 2/20 0.39
TP53 P04637 1/20 0.39
KDM4E B2RXH2 3/20 0.38
HSD17B10 Q99714 2/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 4/20 0.37
TDP1 Q9NUW8 3/20 0.37
PDK2 Q15119 1/20 0.37
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
PTPN1 P18031 1/20 0.32
ACP1 P24666 1/20 0.32
CDC25B P30305 1/20 0.32

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
SCHEMBL8201148 0.96 ALDH1A1 (0.46) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL8201025 0.96 ALDH1A1 (0.46) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL7760858 0.88 ALDH1A1 (0.35) ALDH1A1TSHRLMNAKDM4EPRSS1
SCHEMBL8198692 0.86 ALDH1A1 (0.48) ALDH1A1KDM4EL3MBTL1MAPTPRSS1
SCHEMBL8202001 0.79 ALDH1A1 (0.51) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL10397748 0.78 PRSS1 (0.39) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL8209232 0.73 ALDH1A1 (0.46) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL8190511 0.73 ALDH1A1 (0.46) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL20957985 0.72 ALDH1A1 (0.54) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL8198638 0.71 ALDH1A1 (0.48) ALDH1A1KDM4EL3MBTL1MAPTPRSS1

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