SCHEMBL14646646

SCHEMBL14646646

C=CCC[C@@H](F)CCCCCC

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.54
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.39
PLA2G2C Q5R387 1/20 0.39
LMNA P02545 1/20 0.35
DNM1 Q05193 2/20 0.34
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH4 P08319 1/20 0.34
ADH7 P40394 1/20 0.34
OPRM1 P35372 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL30892699 0.82 MAPT (0.52) TSHRMAPTLMNADNM1OPRM1
SCHEMBL7565480 0.82 MAPT (0.52) TSHRMAPTLMNADNM1OPRM1
SCHEMBL7557771 0.82 MAPT (0.52) TSHRMAPTLMNADNM1OPRM1
SCHEMBL10608053 0.82 MAPT (0.52) TSHRMAPTLMNADNM1OPRM1
SCHEMBL19026469 0.82 MAPT (0.52) TSHRMAPTLMNADNM1OPRM1
SCHEMBL24926247 0.82 MAPT (0.52) TSHRMAPTLMNADNM1OPRM1
SCHEMBL19853017 0.82 MAPT (0.52) TSHRMAPTLMNADNM1OPRM1
SCHEMBL8173118 0.82 MAPT (0.52) TSHRMAPTLMNADNM1OPRM1
SCHEMBL18725210 0.82 MAPT (0.52) TSHRMAPTLMNADNM1OPRM1
SCHEMBL16135675 0.82 MAPT (0.52) TSHRMAPTLMNADNM1OPRM1

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
EP-1773869-B9 MACROCYCLIC MODULATORS OF THE GHRELIN RECEPTOR TRANZYME PHARMA INC (CA) 2013-01-23 EP disclosed