Butane

Butane

SCHEMBL11630643

CCCC.O=C(O)Cn1nc(Br)c(Br)c1Br

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
ALDH1A1 P00352 4/20 0.41
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.36
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA4 P48058 1/20 0.36
GRIK5 Q16478 1/20 0.36
RAB9A P51151 2/20 0.33
CSNK2A2 P19784 2/20 0.33
CSNK2A1 P68400 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 1/20 0.33
NPC1 O15118 1/20 0.33
MITF O75030 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
APAF1 O14727 1/20 0.32
TP53 P04637 1/20 0.32

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
Ethane SCHEMBL11629623 0.93 LMNA (0.46) LMNAALDH1A1GAAALOX15GRIA1
SCHEMBL11628045 0.93 LMNA (0.44) LMNAALDH1A1GAAALOX15GRIA1
Methane SCHEMBL11629915 0.91 LMNA (0.43) LMNAALDH1A1GAAALOX15GRIA1
SCHEMBL13169956 0.79 NPC1 (0.46) LMNAALDH1A1GRIA1GRIA2GRIA4
SCHEMBL11833741 0.79 ALDH1A1 (0.39) LMNAALDH1A1GAAALOX15GRIA1
SCHEMBL11630082 0.79 LMNA (0.43) LMNAALDH1A1GAAALOX15GRIA1
SCHEMBL11635641 0.78 ALDH1A1 (0.56) LMNAALDH1A1GAAMAPTHTT
Methane SCHEMBL11630466 0.77 LMNA (0.42) LMNAALDH1A1GAAALOX15GRIA1
SCHEMBL11631858 0.75 RAB9A (0.41) ALDH1A1RAB9AMAPTSMN1; SMN2APAF1
SCHEMBL11625548 0.72 NAAA (0.46) LMNAALDH1A1MAPTPOLB

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-4084955-A 1-CARBOXYALKYL-DI- AND TRIHALOPYRAZOLES, HERBICIDES THE UPJOHN COMPANY (US) 1978-04-18 US claimed
US-4089672-A HERBICIDES THE UPJOHN COMPANY (US) 1978-05-16 US disclosed
US-4084955-A 1-CARBOXYALKYL-DI- AND TRIHALOPYRAZOLES, HERBICIDES THE UPJOHN COMPANY (US) 1978-04-18 US disclosed