Butane

Butane

SCHEMBL3373014

CCCC.COc1ccc(CP(=O)(O)O)cc1

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.54
ANPEP P15144 2/20 0.49
ERAP2 Q6P179 2/20 0.49
ACP3 P15309 1/20 0.46
PGK1 P00558 3/20 0.46
PGK2 P07205 3/20 0.46
MMP2 P08253 2/20 0.44
MMP9 P14780 2/20 0.44
MMP12 P39900 2/20 0.44
HTT P42858 1/20 0.44
LDHA P00338 1/20 0.44
DGAT2 Q96PD7 1/20 0.44
IDO1 P14902 1/20 0.44
F2RL1 P55085 1/20 0.43

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
SCHEMBL914654 0.94 ANPEP (0.53) ENPP2ANPEPERAP2ACP3PGK1
SCHEMBL126802 0.88 ENPP2 (0.46) ENPP2ANPEPERAP2ACP3PGK1
SCHEMBL11123144 0.82 ANPEP (0.49) ANPEPERAP2ACP3HTTLDHA
SCHEMBL27706560 0.81 ACP3 (0.48) ENPP2ANPEPERAP2ACP3PGK1
SCHEMBL914509 0.80 ANPEP (0.44) ANPEPERAP2HTTLDHAIDO1
SCHEMBL16301967 0.79 NQO1 (0.54) ENPP2PGK1PGK2
Butane SCHEMBL27352790 0.79 ENPP2 (0.59) ENPP2PGK1PGK2DGAT2
SCHEMBL9687342 0.78 IDO1 (0.52) HTTLDHAIDO1F2RL1
SCHEMBL1617420 0.77 PGK1 (0.67) ENPP2ACP3PGK1PGK2DGAT2
SCHEMBL2641869 0.76 ENPP2 (0.45) ENPP2ANPEPERAP2PGK1PGK2

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
EP-1842868-B1 PROCESS FOR PRODUCING POLYESTER, POLYESTER PRODUCED USING SAID PROCESS, AND POLYESTER MOLDED PRODUCT TOYO BOSEKI (JP) 2010-11-10 EP disclosed
EP-1842868-A1 PROCESS FOR PRODUCING POLYESTER, POLYESTER PRODUCED USING SAID PROCESS, AND POLYESTER MOLDED PRODUCT Toyo Boseki Kabushiki Kasisha (JP) 2007-10-10 EP disclosed