Butane

Butane

SCHEMBL11347403

C=COC(=O)CP(=O)(O)O.CCCC

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PGK1 P00558 1/20 0.34
PGK2 P07205 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ENO1 P06733 1/20 0.31
LAP3 P28838 1/20 0.31
FDPS P14324 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 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
SCHEMBL9550690 0.92 MEN1 (0.40) TSHRHPGDMEN1LMNABLM
Butane SCHEMBL2392562 0.81 TSHR (0.51) TSHRHPGDMEN1LMNABLM
SCHEMBL29218315 0.76 MEN1 (0.42) TSHRHPGDMEN1LMNABLM
SCHEMBL11333177 0.74 TSHR (0.41) TSHRTDP1
Butane SCHEMBL2238291 0.74 POLB (0.42) TSHRHPGDMEN1LMNABLM
Butane SCHEMBL97927 0.73 MEN1 (0.36) TSHRHPGDMEN1LMNABLM
Butane SCHEMBL945230 0.72 MGAM (0.48) TSHRHPGDMEN1LMNABLM
Phosphoric Acid SCHEMBL4362548 0.72 TSHR (0.59) TSHRLMNALPAR3LPAR2
SCHEMBL5586920 0.72 ALDH1A1 (0.52) TSHRHPGDLMNA
SCHEMBL23026 0.72

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
US-4267267-A HAVING A SUBBING LAYER OF A COPOLYMER OF VINYL CHLORIDE AND/OR VINYLIDENE CHLORIDE ON A GAS-PERBEABLE SUPPORT; STORAGE STABILITY FUJI PHOTO FILM CO., LTD. (JP) 1981-05-12 US disclosed