Butane

Butane

SCHEMBL11580669

CCCC.CCOC(=O)C(C)O[PH](=O)O

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
LMNA P02545 2/20 0.34
HSD17B10 Q99714 1/20 0.34
ALOX15 P16050 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SOAT1 P35610 1/20 0.33
KMT2A Q03164 1/20 0.32
TRPA1 O75762 1/20 0.31
HPGD P15428 1/20 0.30
PIN1 Q13526 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL9621808 0.96 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL3364720 0.81 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10ALOX15MGAM
Butane SCHEMBL11580460 0.81
Butane SCHEMBL11583074 0.79 CHRM1 (0.34)
Butane SCHEMBL9737574 0.79 CA1 (0.33) ALOX15KMT2A
Butane SCHEMBL11582063 0.78 ALDH1A1 (0.34) ALDH1A1LMNAHSD17B10ALOX15MGAM
Butane SCHEMBL11763800 0.78 NPSR1 (0.40) ALDH1A1LMNAHSD17B10
SCHEMBL7603747 0.78 TSHR (0.41) ALDH1A1L3MBTL1TSHR
Butane SCHEMBL11581921 0.77 POLB (0.34) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL11583079 0.76 ALDH1A1 (0.36) ALDH1A1LMNAHSD17B10ALOX15MGAM

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
US-4086208-A Flame resistant polyesters TOYO BOSEKI KABUSHIKI KAISHA (JA) 1978-04-25 US claimed
US-4086208-A Flame resistant polyesters TOYO BOSEKI KABUSHIKI KAISHA (JA) 1978-04-25 US disclosed