Butylbenzyl

Butylbenzyl

SCHEMBL28784104

CCCCc1ccccc1.O=S(=O)(O)C(F)(F)F

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HPGD P15428 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CNR2 P34972 1/20 0.47
FAAH O00519 4/20 0.46
CES1 P23141 3/20 0.46
CA2 P00918 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
TRPV1 Q8NER1 1/20 0.45
POLB P06746 1/20 0.45
CETP P11597 1/20 0.44
KIF11 P52732 1/20 0.44

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
Trifluoromethanesulfonic Acid SCHEMBL27805236 0.95 MEN1 (0.53) MEN1KMT2AHPGDALDH1A1FAAH
Trifluoromethanesulfonic Acid SCHEMBL27805294 0.93 FAAH (0.53) MEN1KMT2AHPGDALDH1A1HSD17B10
Trifluoromethanesulfonic Acid SCHEMBL27805235 0.93 FAAH (0.53) MEN1KMT2AHPGDALDH1A1HSD17B10
Butylbenzyl SCHEMBL1062488 0.85 MEN1 (0.56) MEN1KMT2AHPGDALDH1A1HSD17B10
Trifluoromethanesulfonic Acid SCHEMBL3362549 0.85 ALDH1A1 (0.50) MEN1KMT2AALDH1A1FAAHCES1
Trifluoromethanesulfonic Acid SCHEMBL28383799 0.85 ESR1 (0.58) HPGDALDH1A1HSD17B10FAAHCA2
Butylbenzyl SCHEMBL5918235 0.84 CA2 (0.59) MEN1KMT2AHPGDALDH1A1HSD17B10
Trifluoromethanesulfonic Acid SCHEMBL20262657 0.83 ALDH1A1 (0.48) MEN1KMT2AALDH1A1FAAHCES1
Trifluoromethanesulfonic Acid SCHEMBL29252282 0.83 SMN1; SMN2 (0.54) MEN1KMT2AHPGDALDH1A1HSD17B10
Trifluoromethanesulfonic Acid SCHEMBL28351498 0.83 MAOA (0.55) ALDH1A1FAAHCES1CA2SMN1; SMN2

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-101735822-B Preparation and use of low-temperature low-viscosity liquid crystal compositions UNIV WUHAN POLYTECHNIC 2015-04-29 CN disclosed
CN-101735822-A Preparation and use of low-temperature low-viscosity liquid crystal compositions UNIV WUHAN POLYTECHNIC 2010-06-16 CN disclosed