Butane

Butane

SCHEMBL7866008

CCCC.O=C(O)[C@H](Cc1ccc(P(=O)(O)O)cc1)NC(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.40
ECE1 P42892 2/20 0.39
PTPN1 P18031 2/20 0.39
ACE P12821 4/20 0.38
CPA1 P15085 4/20 0.38
ACE2 Q9BYF1 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
P2RY12 Q9H244 2/20 0.37
FOLH1 Q04609 1/20 0.36

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
SCHEMBL9545901 0.94 MME (0.43) MMEECE1PTPN1L3MBTL1
SCHEMBL3705736 0.94 MME (0.43) MMEECE1PTPN1L3MBTL1
SCHEMBL3705739 0.94 MME (0.43) MMEECE1PTPN1L3MBTL1
SCHEMBL7364721 0.80 PTPN1 (0.43) MMEPTPN1ACECPA1ACE2
SCHEMBL852956 0.80 PTPN1 (0.43) MMEPTPN1ACECPA1ACE2
SCHEMBL18129829 0.80 PTPN1 (0.43) MMEPTPN1ACECPA1ACE2
SCHEMBL7367519 0.77 MME (0.46) MMEECE1PTPN1ACE
SCHEMBL9847993 0.76 FOLH1 (0.54) MMEACECPA1ACE2L3MBTL1
SCHEMBL9847998 0.76 FOLH1 (0.54) MMEACECPA1ACE2L3MBTL1
SCHEMBL3506385 0.76 MME (0.58) MMEACEL3MBTL1FOLH1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2362868-B1 PROCESS FOR THE PREPARATION OF PROTECTED L-ALANINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2017-12-20 EP disclosed
EP-0820433-B1 O-MALONYLTYROSYL COMPOUNDS, O-MALONYLTYROSYL COMPOUND-CONTAINING PEPTIDES, AND USES THEREOF US GOV HEALTH & HUMAN SERV (US) 2001-10-24 EP disclosed
US-6307090-B1 OXALYL ENDCAPPED; CONTAINING A BIVALENT RADICAL OF PHOSPHOTYROSINE OR A PHOSPHOTYROSINE MIMETIC THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2001-10-23 US disclosed
EP-0820433-A1 O-MALONYLTYROSYL COMPOUNDS, O-MALONYLTYROSYL COMPOUND-CONTAINING PEPTIDES, AND USES THEREOF THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1998-01-28 EP disclosed
US-5688992-A COMPOUNDS FOR TREATMENT OF SIGNALING PATHWAYS IN IMMUNE DISFUNCTION, CANCER AND DIABETES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-11-18 US disclosed
WO-1996030332-A1 O-MALONYLTYROSYL COMPOUNDS, O-MALONYLTYROSYL COMPOUND-CONTAINING PEPTIDES, AND USES THEREOF THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTHA ND HUMAN SERVICES (US) 1996-10-03 WO disclosed