SCHEMBL8399644

SCHEMBL8399644

CC(C)(C)OC(=O)OC=Cc1ccccc1.CCC(C)(C)C(=O)OC=Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.38
CYP2C19 P33261 1/20 0.36
NPC1 O15118 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
EGFR P00533 1/20 0.35
RIPK1 Q13546 4/20 0.35
GLA P06280 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HAO1 Q9UJM8 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
PPARG P37231 1/20 0.33
TSHR P16473 1/20 0.33
PAM P19021 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 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
SCHEMBL8401214 0.90 PPARA (0.43) PPARACYP2C19NPC1L3MBTL1EGFR
SCHEMBL10913657 0.87 CYP2C19 (0.45) PPARACYP2C19NPC1L3MBTL1EGFR
SCHEMBL104809 0.87 CYP2C19 (0.45) PPARACYP2C19NPC1L3MBTL1EGFR
SCHEMBL14827286 0.82 HDAC2 (0.42) PPARANPC1L3MBTL1RIPK1ALDH1A1
SCHEMBL9128813 0.82 CYP2C19 (0.41) PPARACYP2C19NPC1L3MBTL1EGFR
SCHEMBL7997478 0.82 CYP2C19 (0.41) PPARACYP2C19NPC1L3MBTL1EGFR
SCHEMBL141457 0.75 CYP2C19 (0.47) PPARACYP2C19NPC1L3MBTL1EGFR
SCHEMBL6393968 0.75 ALDH1A1 (0.42) PPARACYP2C19NPC1L3MBTL1EGFR
SCHEMBL7913182 0.74 MIF (0.48) CYP2C19NPC1TDP1ALDH1A1MAOA
SCHEMBL25800697 0.73 CYP2C19 (0.47) PPARACYP2C19NPC1L3MBTL1EGFR

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
EP-0540965-B1 Positive light sensitive composition and process for the formation of relief pattern BASF AG (DE) 1999-06-09 EP claimed