Butylbenzyl

Butylbenzyl

SCHEMBL28237243

CCCCCC(=O)CC.CCCCc1ccccc1

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.54
▸ MAPT P10636 1/20 0.53
▸ RXFP1 Q9HBX9 1/20 0.53
▸ HDAC3 O15379 2/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ ADRA1A P35348 1/20 0.52
▸ HDAC4 P56524 1/20 0.52
▸ SLC6A3 Q01959 1/20 0.52
▸ HDAC1 Q13547 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ HDAC7 Q8WUI4 1/20 0.52
▸ HDAC2 Q92769 1/20 0.52
▸ HDAC10 Q969S8 1/20 0.52
▸ HDAC11 Q96DB2 1/20 0.52
▸ HDAC8 Q9BY41 1/20 0.52
▸ HDAC6 Q9UBN7 1/20 0.52
▸ HDAC9 Q9UKV0 1/20 0.52
▸ HDAC5 Q9UQL6 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.51
▸ HSD17B10 Q99714 1/20 0.51

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
SCHEMBL6819889 0.91 MAPT (0.63) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL17002040 0.89 MAPT (0.67) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL17002039 0.89 MAPT (0.67) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL8994589 0.89 MAPT (0.67) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL13267850 0.89 MAPT (0.67) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL13267746 0.89 MAPT (0.67) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL17002036 0.89 MAPT (0.67) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL5026357 0.89 MAPT (0.67) MAPTRXFP1HDAC3MAPK1ADRA1A
Butylbenzyl SCHEMBL27457856 0.89 ALDH1A1 (0.58) HPGDMAPTRXFP1HDAC3MAPK1
SCHEMBL3642535 0.89 HDAC1 (0.64) HPGDMAPTRXFP1HDAC3MAPK1

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
CN-108473484-A Compounds useful as TRPM8 modulators 赛诺米克斯公司 2018-08-31 — — CN disclosed
Send feedback