SCHEMBL15364769

SCHEMBL15364769

CCCCCCCCCC(C)(O)C#CC(C)(O)CCCCCCCCC

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FDPS P14324 10/20 0.45
GGPS1 O95749 7/20 0.45
CES2 O00748 1/20 0.43
SMPD1 P17405 1/20 0.41
TSHR P16473 1/20 0.40
THRB P10828 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
SCHEMBL736677 1.00 FDPS (0.45) FDPSGGPS1CES2SMPD1TSHR
SCHEMBL737150 1.00 FDPS (0.45) FDPSGGPS1CES2SMPD1TSHR
SCHEMBL737213 0.97 FDPS (0.43) FDPSGGPS1CES2SMPD1
SCHEMBL396486 0.90 FDPS (0.34) FDPSGGPS1CES2TSHR
SCHEMBL28783022 0.89 FDPS (0.41) FDPSGGPS1CES2SMPD1
SCHEMBL7644051 0.89 FDPS (0.41) FDPSGGPS1CES2SMPD1
SCHEMBL933073 0.88 FDPS (0.37) FDPSGGPS1CES2SMPD1
SCHEMBL10975924 0.86 FDPS (0.39) FDPSGGPS1CES2SMPD1
SCHEMBL10978855 0.86 FDPS (0.39) FDPSGGPS1CES2SMPD1
SCHEMBL8996001 0.86 FDPS (0.39) FDPSGGPS1CES2SMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150168419-A1 PREDICTION OF A SMALL-FOR-GESTATIONAL AGE (SGA) INFANT UNIVERSITY COLLEGE CORK - NATIONAL UNIVERSITY OF IRELAND, CORK (IE) 2015-06-18 US claimed
US-20130295679-A1 PREDICTION OF A SMALL-FOR-GESTATIONAL AGE (SGA) INFANT UNIVERSITY COLLEGE CORK - NATIONAL UNIVERSITY OF IRELAND, CORK (IE) 2013-11-07 US claimed
US-20150168419-A1 PREDICTION OF A SMALL-FOR-GESTATIONAL AGE (SGA) INFANT UNIVERSITY COLLEGE CORK - NATIONAL UNIVERSITY OF IRELAND, CORK (IE) 2015-06-18 US disclosed
US-20130295679-A1 PREDICTION OF A SMALL-FOR-GESTATIONAL AGE (SGA) INFANT UNIVERSITY COLLEGE CORK - NATIONAL UNIVERSITY OF IRELAND, CORK (IE) 2013-11-07 US disclosed