SCHEMBL4535154

SCHEMBL4535154

O=C=NCCCCCCCCCCCCCCCCCCCCCCCCO

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.58
GPR84 Q9NQS5 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.33
NAAA Q02083 1/20 0.31
GSK3B P49841 1/20 0.30

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
SCHEMBL4532314 1.00 MIF (0.58) MIFGPR84FFAR1FFAR4LMNA
SCHEMBL4528913 1.00 MIF (0.58) MIFGPR84FFAR1FFAR4LMNA
SCHEMBL4533760 1.00 MIF (0.58) MIFGPR84FFAR1FFAR4LMNA
SCHEMBL4517294 1.00 MIF (0.58) MIFGPR84FFAR1FFAR4LMNA
SCHEMBL23530126 1.00 MIF (0.58) MIFGPR84FFAR1FFAR4LMNA
SCHEMBL4532918 1.00 MIF (0.58) MIFGPR84FFAR1FFAR4LMNA
1,5-Pentanediol SCHEMBL23530163 1.00 MIF (0.58) MIFGPR84FFAR1FFAR4LMNA
SCHEMBL4528851 1.00 MIF (0.58) MIFGPR84FFAR1FFAR4LMNA
SCHEMBL4531244 1.00 MIF (0.58) MIFGPR84FFAR1FFAR4LMNA
SCHEMBL4538373 1.00 MIF (0.58) MIFGPR84FFAR1FFAR4LMNA

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
US-20090123516-A1 DRUG DELIVERY FROM IMPLANTS USING SELF-ASSEMBLED MONOLAYERS-THERAPEUTIC SAMS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2009-05-14 US disclosed
WO-2007019478-A2 DRUG DELIVERY FROM IMPLANTS USING SELF-ASSEMBLED MONOLAYERS - THERAPEUTIC SAMS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-02-15 WO disclosed