Butane

Butane

SCHEMBL28855255

CC(N)CN.CCCC.Cc1c(C(=O)O)cccc1C(=O)O.NCCCCCCCCCCCCN.NCCCCCCN.NCCCN

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TSHR P16473 3/20 0.37
HMGB1 P09429 1/20 0.37
KDM4E B2RXH2 3/20 0.37
MEN1 O00255 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
MYC P01106 1/20 0.36
GRM1 Q13255 1/20 0.35
HSD17B10 Q99714 2/20 0.35
NPC1 O15118 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
HPGD P15428 1/20 0.35
TLR2 O60603 1/20 0.34
PTGER1 P34995 1/20 0.33
SELP P16109 1/20 0.33

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
Ammonia Solution, Strong SCHEMBL28842683 0.91 TSHR (0.41) ALDH1A1TSHRHMGB1KDM4EMEN1
SCHEMBL28126374 0.85 ALDH1A1 (0.44) ALDH1A1TSHRHMGB1MEN1KMT2A
Octadecylamine SCHEMBL28210994 0.85 ALDH1A1 (0.44) ALDH1A1TSHRHMGB1MEN1KMT2A
SCHEMBL28857359 0.85 TSHR (0.47) ALDH1A1TSHRHMGB1KDM4EMEN1
SCHEMBL28172624 0.85 TSHR (0.47) ALDH1A1TSHRHMGB1KDM4EMEN1
Tetradecylamine SCHEMBL27874843 0.84 DNM1 (0.45) ALDH1A1TSHRHMGB1MEN1KMT2A
Putrescine SCHEMBL28110610 0.84 TSHR (0.44) ALDH1A1TSHRHMGB1KDM4EMEN1
Diaminooctane SCHEMBL28161215 0.81 TSHR (0.40) ALDH1A1TSHRHMGB1KDM4EMYC
Diaminooctane SCHEMBL28858786 0.80 TSHR (0.39) ALDH1A1TSHRHMGB1KDM4EMYC
Propylamine SCHEMBL27346910 0.80 TSHR (0.49) ALDH1A1TSHRHMGB1KDM4EMEN1

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-107501670-A Polymer composition comprising cellulose esters 英威达技术有限公司 2017-12-22 CN disclosed