SCHEMBL22437161

SCHEMBL22437161

Cc1ccc(C(C)(C)C)cc1CCCCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CNR1 P21554 2/20 0.37
▸ CNR2 P34972 2/20 0.37
▸ KLF10 Q13118 1/20 0.36
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ RXRA P19793 1/20 0.35
▸ RXRB P28702 1/20 0.35
▸ NR1H4 Q96RI1 2/20 0.35
▸ HTR1D P28221 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ RECQL P46063 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
SCHEMBL21531653 0.91 CYP2D6 (0.42) CYP2D6ALDH1A1HPGDALOX15HSD17B10
SCHEMBL9155665 0.87 CYP2D6 (0.43) CYP2D6ALDH1A1HPGDALOX15HSD17B10
SCHEMBL25574426 0.82 ESR1 (0.40) CYP2D6ALDH1A1HPGDALOX15HSD17B10
SCHEMBL8849687 0.82 HTR1D (0.42) CYP2D6ALDH1A1HPGDALOX15HSD17B10
SCHEMBL23673817 0.80 ESR1 (0.39) CYP2D6ALDH1A1HPGDALOX15HSD17B10
SCHEMBL11402245 0.80 RXRA (0.42) CYP2D6ALDH1A1HPGDALOX15HSD17B10
SCHEMBL10211670 0.80 KLF10 (0.50) CYP2D6ALDH1A1HPGDALOX15HSD17B10
SCHEMBL6567306 0.79 CYP2C19 (0.46) CYP2D6ALDH1A1ALOX15HSD17B10CNR1
SCHEMBL21449928 0.78 CYP2D6 (0.41) CYP2D6ALDH1A1HPGDALOX15HSD17B10
SCHEMBL38652213 0.78 TAAR1 (0.57) ALDH1A1HPGDALOX15TDP1MEN1

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-3710424-A1 COMPOUNDS HAVING A STABILIZING EFFECT, METHOD FOR PRODUCING SAID COMPOUNDS, COMPOSITION CONTAINING SAID STABILIZING COMPOUNDS, METHOD FOR STABILIZING AN ORGANIC COMPONENT, AND USE OF STABILIZING COMPOUNDS Fraunhofer Gesellschaft zur Förderung der Angewand (DE) 2020-09-23 — — EP disclosed
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