SCHEMBL7043706

SCHEMBL7043706

C=C(CCCCO)C(=O)O.COC=Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.39
ALDH1A1 P00352 4/20 0.38
TDP1 Q9NUW8 2/20 0.35
GLA P06280 1/20 0.35
HAO1 Q9UJM8 1/20 0.35
LMNA P02545 2/20 0.35
HDAC3 O15379 2/20 0.35
PAM P19021 1/20 0.34
MAPT P10636 3/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
HSPD1 P10809 1/20 0.34
TNFRSF1A P19438 1/20 0.34
MAOB P27338 1/20 0.34
HSPE1 P61604 1/20 0.34
CYP1B1 Q16678 1/20 0.34
NPC1 O15118 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TNKS O95271 1/20 0.33
HDAC4 P56524 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
SCHEMBL7042365 0.96 ALDH1A1 (0.38) PPARAALDH1A1TDP1GLAHAO1
SCHEMBL7044682 0.90 ALDH1A1 (0.40) PPARAALDH1A1TDP1GLAHAO1
SCHEMBL5845296 0.87 PPARA (0.37) PPARAALDH1A1TDP1GLAHAO1
SCHEMBL5843471 0.86 PPARA (0.36) PPARAALDH1A1TDP1GLAHAO1
SCHEMBL5844120 0.83 GLA (0.37) PPARAALDH1A1TDP1GLAHAO1
Styrene SCHEMBL3441338 0.81 ALDH1A1 (0.47) PPARAALDH1A1TDP1HAO1LMNA
Ethylene Glycol SCHEMBL27581622 0.77 TRPA1 (0.45) ALDH1A1TDP1GLAPAMMAPT
SCHEMBL5844325 0.77 GLA (0.39) PPARAALDH1A1TDP1GLAHAO1
Styrene SCHEMBL15637211 0.76 ALDH1A1 (0.48) ALDH1A1TDP1HAO1LMNAPAM
SCHEMBL7592990 0.76 PPARA (0.38) PPARAALDH1A1TDP1GLAHAO1

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-6803172-B2 PHOTOSENSITIVE POLYMER OVERCOATING SEMICONDUCTOR HYNIX SEMICONDUCTOR INC. (KR) 2004-10-12 US disclosed