SCHEMBL7946740

SCHEMBL7946740

O=C(OCC(F)(F)F)c1ccc(OC(=O)c2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
TDP1 Q9NUW8 2/20 0.48
PRSS1 P07477 3/20 0.46
ACR P10323 2/20 0.46
TRPV1 Q8NER1 2/20 0.46
EPHX2 P34913 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
XBP1 P17861 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
PARP10 Q53GL7 1/20 0.41
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL1496824 0.83 MAPK1 (0.55) SMN1; SMN2TDP1NPC1RAB9AGAA
SCHEMBL7946747 0.83 ELANE (0.49) SMN1; SMN2TP53HPGDTDP1PRSS1
SCHEMBL14145709 0.80 AURKA (0.49) PRSS1ACRTRPV1EPHX2NPC1
SCHEMBL9578483 0.80 NPC1 (0.51) SMN1; SMN2TDP1PRSS1ACRNPC1
SCHEMBL13560798 0.80 AURKA (0.49) PRSS1ACRTRPV1EPHX2NPC1
SCHEMBL9061976 0.79 EPHX2 (0.51) SMN1; SMN2TP53HPGDPRSS1EPHX2
SCHEMBL14003271 0.79 PRSS1 (0.56) SMN1; SMN2TP53HPGDTDP1PRSS1
SCHEMBL12473427 0.79 LMNA (0.60) SMN1; SMN2PRSS1ACRNPC1RAB9A
SCHEMBL17233760 0.79 CA1 (0.56) SMN1; SMN2NPC1RAB9AGAAMAPT
SCHEMBL532755 0.79 TP53 (0.47) SMN1; SMN2TP53HPGDTDP1PRSS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6258296-B1 HAS SMALL SPONTANEOUS POLARIZATION AND HAS EXCELLENT RESPONSE CHARACTERISTICS FOR MAKING HIGH QUALITY FERRIELECTRIC LIQUID CRYSTAL DISPLAY DEVICE MITSUBISHI GAS CHEMICAL COMPANY INC (JP) 2001-07-10 US disclosed
EP-1008585-A1 FLUORINE-SUBSTITUTED COMPOUNDS AND FERRIELECTRIC LIQUID-CRYSTAL COMPOSITION CONTAINING THE SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2000-06-14 EP disclosed