Butane

Butane

SCHEMBL4155411

C1CN1.C1CN1.CCCC

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.46
MAPT P10636 1/20 0.46
PDE4A P27815 1/20 0.46
KDR P35968 1/20 0.46
CXCR4 P61073 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GNAI3 P08754 7/20 0.33
GNAO1 P09471 7/20 0.33
GNAI1 P63096 7/20 0.33
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31

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
Piperazine SCHEMBL2842298 0.95 HIF1A (0.55) HIF1AMAPTPDE4AKDRCXCR4
Pyrrolidine SCHEMBL631271 0.88
Azetidine SCHEMBL28080407 0.86
Pyrrolidine SCHEMBL29175546 0.84 ALDH1A1 (0.53) HIF1AMAPTPDE4AKDRCXCR4
Butane SCHEMBL22619597 0.84 CXCR4 (0.64) HIF1AMAPTPDE4AKDRCXCR4
Piperidine SCHEMBL8740912 0.84 ALDH1A1 (0.64) HIF1AMAPTPDE4AKDRCXCR4
Aziridine SCHEMBL27834853 0.84
Hexane SCHEMBL28193361 0.82
Piperidine SCHEMBL18918845 0.82 ALDH1A1 (0.60) HIF1AMAPTPDE4AKDRCXCR4
Piperidine SCHEMBL27850884 0.82 ALDH1A1 (0.60) HIF1AMAPTPDE4AKDRCXCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247680-A1 ADHESION PROMOTING ADDITIVE AVERY DENNISON CORPORATION (US) 2009-10-01 US disclosed
EP-2024440-A2 ADHESION PROMOTING ADDITIVE AVERY DENNISON CORPORATION (US) 2009-02-18 EP disclosed
WO-2007146603-A2 ADHESION PROMOTING ADDITIVE AVERY DENNISON CORPORATION (US) 2007-12-21 WO disclosed