SCHEMBL6942814

SCHEMBL6942814

CCCCCCCCCCCCCC[C]=O.CCCCCCCCCCCCC[C]=O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
THRB P10828 1/20 0.50
PTPN7 P35236 4/20 0.44
HMGCR P04035 2/20 0.44
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CES2 O00748 3/20 0.39
CES1 P23141 3/20 0.39
EPHX2 P34913 1/20 0.39
ALDH1A1 P00352 2/20 0.38
DNM1 Q05193 1/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL18911577 1.00 TSHR (0.50) TSHRTHRBPTPN7HMGCRRECQL
SCHEMBL157361 1.00
SCHEMBL1332658 1.00
SCHEMBL154927 1.00 TSHR (0.50) TSHRTHRBPTPN7HMGCRRECQL
SCHEMBL15978 1.00 TSHR (0.50) TSHRTHRBPTPN7HMGCRRECQL
SCHEMBL4879841 1.00 TSHR (0.50) TSHRTHRBPTPN7HMGCRRECQL
SCHEMBL9234866 1.00 TSHR (0.50) TSHRTHRBPTPN7HMGCRRECQL
SCHEMBL177432 1.00 TSHR (0.50) TSHRTHRBPTPN7HMGCRRECQL
SCHEMBL371425 1.00 TSHR (0.50) TSHRTHRBPTPN7HMGCRRECQL
SCHEMBL18911556 1.00 TSHR (0.50) TSHRTHRBPTPN7HMGCRRECQL

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
WO-2001081408-A9 G-PROTEIN COUPLED RECEPTOR (GPCR) AGONISTS AND ANTAGONISTS AND METHODS OF ACTIVATING AND INHIBITING GPCR USING THE SAME NEW ENGLAND MEDICAL CT (US) 2003-01-03 WO disclosed