SCHEMBL9344841

SCHEMBL9344841

CC[C@H](C)COC(=O)CCc1ccc(O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
MAPT P10636 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
TRPV1 Q8NER1 1/20 0.42
APP P05067 2/20 0.41
CYP4Z1 Q86W10 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MET P08581 2/20 0.40
TLR2 O60603 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
KDM4E B2RXH2 1/20 0.40
SLC16A3 O15427 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TTR P02766 1/20 0.40
ESR1 P03372 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL9344845 1.00 CYP4F2 (0.50) CYP4F2CYP4A11MAPTTDP1TRPV1
SCHEMBL19024845 0.88 CYP4F2 (0.54) CYP4F2CYP4A11MAPTTDP1CYP4Z1
SCHEMBL19024791 0.86 TDP1 (0.62) CYP4F2CYP4A11MAPTTDP1TRPV1
SCHEMBL19088249 0.86 CYP4F2 (0.50) CYP4F2CYP4A11MAPTTDP1APP
SCHEMBL9340822 0.84 MAPT (0.46) MAPTCYP4Z1MEN1KMT2AALDH1A1
SCHEMBL9340827 0.84 MAPT (0.46) MAPTCYP4Z1MEN1KMT2AALDH1A1
SCHEMBL32685139 0.82 CYP4F2 (0.46) CYP4F2CYP4A11MAPTTDP1TRPV1
SCHEMBL28791610 0.81 CYP4F2 (0.60) CYP4F2CYP4A11TDP1TRPV1CYP4Z1
SCHEMBL304455 0.80 CYP4F2 (0.74) CYP4F2CYP4A11TDP1APPCYP4Z1
SCHEMBL490538 0.79 CYP3A4 (0.62) CYP4F2CYP4A11TDP1TRPV1TLR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5324451-A Excellent response and memory DAINIPPON INK AND CHEMICALS, INC. (JP) 1994-06-28 US disclosed
EP-0329153-B1 NOVEL LACTIC ACID DERIVATIVES AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THE SAME DAINIPPON INK AND CHEMICALS, INC. (JP) 1992-10-21 EP disclosed
EP-0329153-A2 Novel lactic acid derivatives and liquid crystal compositions containing the same DAINIPPON INK AND CHEMICALS, INC. (JP) 1989-08-23 EP disclosed