Butane

Butane

SCHEMBL6423476

CCCC.O=C(CC(=O)OCCCCl)OCCCCl

nearest known ligand 0.47

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.47
NAAA Q02083 1/20 0.47
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
DGKA P23743 1/20 0.42
ALDH1A1 P00352 1/20 0.41
RAD52 P43351 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
EPHX1 P07099 1/20 0.39
ATM Q13315 1/20 0.39
ACHE P22303 6/20 0.38
TSHR P16473 2/20 0.38
HTR2C P28335 1/20 0.38

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
SCHEMBL3134520 0.91 MGAM (0.42) FAAHNAAAMGAMGAASI
Butane SCHEMBL6048840 0.84 ALDH1A1 (0.58) FAAHNAAAMGAMGAASI
SCHEMBL27542881 0.83 MGAM (0.54) FAAHNAAAMGAMGAASI
Butane SCHEMBL6080990 0.83 FAAH (0.49) FAAHNAAADGKARAD52NPSR1
Butane SCHEMBL6080780 0.83 FAAH (0.49) FAAHNAAADGKARAD52NPSR1
SCHEMBL16342073 0.83 DGKA (0.52) FAAHNAAADGKAALDH1A1RAD52
SCHEMBL9808572 0.83 MGAM (0.46) FAAHNAAAMGAMGAASI
SCHEMBL10353796 0.82
SCHEMBL152233 0.81 ALDH1A1 (0.61) FAAHNAAAMGAMGAASI
SCHEMBL28686417 0.81 DGKA (0.61) FAAHNAAADGKAALDH1A1RAD52

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
EP-1533322-B1 SOLID CATALYST COMPONENT FOR OLEFIN POLYMERIZATION AND CATALYST TOHO TITANIUM CO LTD (JP) 2019-05-01 EP disclosed
US-20050250918-A1 Catalyst for olefin polymerization and process for polymerizing olefins TOHO CATALYST CO., LTD. (JP) 2005-11-10 US disclosed
US-20050227856-A1 Solid catalyst component for olefin polymerization and catalyst TOHO CATALYST CO., LTD. (JP) 2005-10-13 US disclosed