Hexane

Hexane

SCHEMBL28355428

CC(=O)OCCCc1ccccc1.CCCCCC

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.60
ALDH1A1 P00352 7/20 0.55
CTSK P43235 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 1/20 0.54
RECQL P46063 1/20 0.54
RAB9A P51151 1/20 0.54
TSHR P16473 4/20 0.51
CYP3A4 P08684 2/20 0.51
MAPK1 P28482 2/20 0.51
TP53 P04637 1/20 0.51
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
KDM4E B2RXH2 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
HPGD P15428 1/20 0.49
MAPT P10636 1/20 0.48
APOBEC3A P31941 1/20 0.48
APOBEC3G Q9HC16 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
SCHEMBL1051 0.93 LMNA (0.68) LMNAALDH1A1SMN1; SMN2NPC1RECQL
Acetic Acid Butyl Ester SCHEMBL11329285 0.92 ALDH1A1 (0.55) LMNAALDH1A1CTSKTSHRCYP3A4
Octyl Acetate SCHEMBL4379323 0.90 ALDH1A1 (0.55) LMNAALDH1A1CTSKSMN1; SMN2NPC1
SCHEMBL5605990 0.88 LMNA (0.61) LMNAALDH1A1SMN1; SMN2NPC1RECQL
SCHEMBL2021418 0.87 LMNA (0.60) LMNAALDH1A1CTSKSMN1; SMN2NPC1
SCHEMBL27676149 0.86 ALDH1A1 (0.54) LMNAALDH1A1CTSKTSHRMAPT
SCHEMBL10702591 0.86 LMNA (0.59) LMNAALDH1A1SMN1; SMN2NPC1RECQL
SCHEMBL5945554 0.86 LMNA (0.59) LMNAALDH1A1SMN1; SMN2NPC1RECQL
SCHEMBL1345319 0.86 LMNA (0.59) LMNAALDH1A1SMN1; SMN2NPC1RECQL
SCHEMBL14445679 0.86 LMNA (0.59) LMNAALDH1A1SMN1; SMN2NPC1RECQL

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-110742072-B Pest attractant and preparation method and application thereof 西南林业大学 2021-12-07 CN disclosed
CN-110742072-A Pest attractant and preparation method and application thereof 西南林业大学 2020-02-04 CN disclosed