SCHEMBL7996350

SCHEMBL7996350

CC(C)(C)OC(=O)c1ccccc1C(=O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 5/20 0.42
ALDH1A1 P00352 5/20 0.42
TDP1 Q9NUW8 2/20 0.42
HSD17B10 Q99714 1/20 0.42
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
GRM6 O15303 1/20 0.40
HIF1A Q16665 1/20 0.40
GABRA1 P14867 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38
GABRA6 Q16445 2/20 0.38
LMNA P02545 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 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
Hydrogen Peroxide SCHEMBL29048859 0.90 TSHR (0.48) CYP2C19TSHRALDH1A1TDP1HSD17B10
SCHEMBL30111657 0.88 TSHR (0.50) TSHRALDH1A1TDP1HSD17B10ADRA1A
SCHEMBL109178 0.88 TSHR (0.50) TSHRALDH1A1TDP1HSD17B10ADRA1A
SCHEMBL16046139 0.85 TSHR (0.41) CYP2C19TSHRALDH1A1TDP1HSD17B10
SCHEMBL722115 0.85 ALDH1A1 (0.56) TSHRALDH1A1TDP1HSD17B10GRM6
SCHEMBL30339401 0.85 ALDH1A1 (0.56) TSHRALDH1A1TDP1HSD17B10GRM6
Water SCHEMBL28274877 0.83 ALDH1A1 (0.54) TSHRALDH1A1TDP1HSD17B10ADRA1A
SCHEMBL11080330 0.83 GRM6 (0.40) CYP2C19POLBTSHRALDH1A1TDP1
SCHEMBL10514026 0.81 TSHR (0.44) TSHRALDH1A1TDP1HSD17B10ADRA1A
SCHEMBL28318092 0.81 LMNA (0.57) POLBTSHRALDH1A1HSD17B10LMNA

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-6281371-B1 Lipopolyamines, and the preparation and use thereof BIONTEX LABORATORIES GMBH (DE) 2001-08-28 US disclosed