Sugi Predict

Sugi Predict / Compounds / Butane

Butane

Butane

SCHEMBL9979188

CCCC.CCCCCS(=O)(=O)O

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.52
▸ FAAH O00519 5/20 0.50
▸ APP P05067 1/20 0.48
▸ CA2 P00918 4/20 0.44
▸ TP53 P04637 1/20 0.43
▸ CA1 P00915 2/20 0.41
▸ CES1 P23141 5/20 0.41
▸ CES2 O00748 2/20 0.41
▸ S1PR2 O95136 1/20 0.40
▸ S1PR1 P21453 1/20 0.40
▸ S1PR3 Q99500 1/20 0.40

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
Butane SCHEMBL9979087 0.97 EPHX2 (0.55) EPHX2FAAHAPPCA2CA1
SCHEMBL11336 0.97 — —
SCHEMBL7985111 0.94 EPHX2 (0.52) EPHX2FAAHAPPCA2TP53
Ammonia Solution, Strong SCHEMBL2547477 0.94 EPHX2 (0.52) EPHX2FAAHAPPCA2TP53
SCHEMBL150843 0.94 FAAH (0.56) EPHX2FAAHAPPCA2CA1
SCHEMBL22200 0.94 FAAH (0.56) EPHX2FAAHAPPCA2CA1
SCHEMBL496699 0.94 FAAH (0.56) EPHX2FAAHAPPCA2CA1
SCHEMBL304724 0.94 FAAH (0.56) EPHX2FAAHAPPCA2CA1
SCHEMBL22608765 0.94 FAAH (0.56) EPHX2FAAHAPPCA2CA1
SCHEMBL151083 0.94 FAAH (0.56) EPHX2FAAHAPPCA2CA1

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-20110318631-A1 ELECTROCHEMICAL DEVICE HITACHI MAXELL ENERGY, LTD. (JP) 2011-12-29 — — US disclosed