SCHEMBL16994292

SCHEMBL16994292

CCC(C)(C)C(=O)OCCOc1ccc2cc(O)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.41
PPARG P37231 2/20 0.41
PPARD Q03181 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
CYP2C9 P11712 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CPT2 P23786 1/20 0.39
CPT1A P50416 1/20 0.39
CPT1B Q92523 1/20 0.39
HCAR2 Q8TDS4 1/20 0.38

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
SCHEMBL12787493 0.88 PPARG (0.54) PPARAPPARGPPARDALDH1A1MEN1
SCHEMBL29324089 0.87 LTA4H (0.47) MEN1KMT2AESR1CHRM2MAPK1
SCHEMBL12112343 0.84 KDM4E (0.59) PPARAPPARGPPARDALDH1A1MEN1
SCHEMBL9880794 0.84 KDM4E (0.59) PPARAPPARGPPARDALDH1A1MEN1
SCHEMBL119862 0.83 ESR1 (0.48) MEN1NPC1MAPTKMT2AL3MBTL1
SCHEMBL15113877 0.83 ESR1 (0.47) ALDH1A1MEN1NPC1MAPTRAB9A
SCHEMBL12112351 0.82 LMNA (0.43) PPARAPPARGPPARDMEN1NPC1
SCHEMBL15946552 0.81 RARB (0.47) KMT2AKDM4EMAPK1TDP1
SCHEMBL12112341 0.81 KDM4E (0.52) PPARAPPARGPPARDALDH1A1MEN1
SCHEMBL20408457 0.80 ESR1 (0.49) MEN1NPC1MAPTKMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9104110-B2 Polymer, resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-08-11 US disclosed