SCHEMBL7042365

SCHEMBL7042365

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
PPARA Q07869 2/20 0.37
GLA P06280 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HAO1 Q9UJM8 1/20 0.36
HDAC3 O15379 2/20 0.35
PAM P19021 1/20 0.35
MAPT P10636 3/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
HSPD1 P10809 1/20 0.35
TNFRSF1A P19438 1/20 0.35
MAOB P27338 1/20 0.35
HSPE1 P61604 1/20 0.35
CYP1B1 Q16678 1/20 0.35
LMNA P02545 2/20 0.34
TNKS O95271 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34

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
SCHEMBL7043706 0.96 PPARA (0.39) ALDH1A1PPARAGLATDP1HAO1
SCHEMBL7044682 0.92 ALDH1A1 (0.40) ALDH1A1PPARAGLATDP1HAO1
SCHEMBL5844120 0.86 GLA (0.37) ALDH1A1PPARAGLATDP1HAO1
SCHEMBL5845296 0.83 PPARA (0.37) ALDH1A1PPARAGLATDP1HAO1
SCHEMBL5843471 0.82 PPARA (0.36) ALDH1A1PPARAGLATDP1HAO1
Styrene SCHEMBL15637211 0.81 ALDH1A1 (0.48) ALDH1A1TDP1HAO1PAMMAPT
SCHEMBL7592990 0.80 PPARA (0.38) ALDH1A1PPARAGLATDP1HAO1
SCHEMBL19093118 0.78 AKR1C3 (0.41) ALDH1A1GLATDP1HAO1HDAC3
Ethylene Glycol SCHEMBL27581622 0.78 TRPA1 (0.45) ALDH1A1GLATDP1PAMMAPT
SCHEMBL5844325 0.78 GLA (0.39) ALDH1A1PPARAGLATDP1HAO1

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