Butylbenzyl

Butylbenzyl

SCHEMBL28211360

C=C.C=C(C)C(=O)O.CCCCc1ccccc1

nearest known ligand 0.64

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
HPGD P15428 2/20 0.53
HSD17B10 Q99714 1/20 0.53
THRA P10827 2/20 0.53
THRB P10828 2/20 0.53
TRPV1 Q8NER1 1/20 0.50
RARB P10826 1/20 0.49
HDAC3 O15379 2/20 0.48
MAPK1 P28482 1/20 0.48
ADRA1A P35348 1/20 0.48
HDAC4 P56524 1/20 0.48
SLC6A3 Q01959 1/20 0.48
HDAC1 Q13547 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48

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
Butylbenzyl SCHEMBL28147500 0.98 ALDH1A1 (0.55) ALDH1A1HPGDHSD17B10THRATHRB
Methacrylic Acid SCHEMBL11310406 0.93 THRA (0.61) ALDH1A1HPGDTHRATHRBRARB
Methacrylic Acid SCHEMBL28065775 0.91 THRA (0.64) ALDH1A1HSD17B10THRATHRBRARB
Methacrylic Acid SCHEMBL27648046 0.90 THRA (0.62) ALDH1A1HPGDHSD17B10THRATHRB
Butylbenzyl SCHEMBL27473333 0.87 ALDH1A1 (0.62) ALDH1A1HPGDHSD17B10TRPV1RARB
Butylbenzyl SCHEMBL27660882 0.85 ALDH1A1 (0.64) ALDH1A1HPGDHSD17B10TRPV1RARB
Methacrylic Acid SCHEMBL4656023 0.85 ALDH1A1 (0.59) ALDH1A1HPGDHDAC3MAPK1ADRA1A
Butylbenzyl SCHEMBL27646846 0.84 SIGMAR1 (0.55) ALDH1A1HPGDHSD17B10TRPV1ADRA1A
Butylbenzyl SCHEMBL28163480 0.84 SIGMAR1 (0.55) ALDH1A1HPGDHSD17B10TRPV1ADRA1A
Butylbenzyl SCHEMBL27286928 0.84 SIGMAR1 (0.55) ALDH1A1HPGDHSD17B10TRPV1ADRA1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107835744-A Film with wood-like appearance 克勒克纳彭塔普拉斯特有限公司 2018-03-23 CN claimed
CN-107835744-A Film with wood-like appearance 克勒克纳彭塔普拉斯特有限公司 2018-03-23 CN disclosed