SCHEMBL7646476

SCHEMBL7646476

C=C(C)C(=O)OC(C)SCCCCCC

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
EPHX1 P07099 1/20 0.47
CES2 O00748 3/20 0.40
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.36
THRB P10828 2/20 0.36
GMNN O75496 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
CYP2C9 P11712 1/20 0.36
BLM P54132 1/20 0.36
HSD17B10 Q99714 1/20 0.36
FAAH O00519 5/20 0.36
MAPK1 P28482 1/20 0.33
PTGS2 P35354 2/20 0.33
CES1 P23141 4/20 0.33
THRA P10827 1/20 0.33
PLA2G6 O60733 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
SCHEMBL2432692 0.93 TSHR (0.43) TSHREPHX1CES2LMNATHRB
SCHEMBL10427135 0.92 TSHR (0.42) TSHREPHX1THRB
SCHEMBL10427162 0.88 TSHR (0.42) TSHREPHX1THRB
SCHEMBL671675 0.84 TSHR (0.45) TSHRTHRB
SCHEMBL8424510 0.81 EPHX1 (0.55) EPHX1CES2LMNAMAPTTHRB
SCHEMBL673042 0.80 TSHR (0.41) TSHRTHRB
SCHEMBL8426321 0.80 EPHX1 (0.53) TSHREPHX1CES2LMNAMAPT
SCHEMBL1695697 0.79 TSHR (0.44) TSHRTHRB
SCHEMBL28833506 0.78 TSHR (0.42) TSHREPHX1CES2LMNAMAPT
SCHEMBL10624263 0.78 EPHX1 (0.51) TSHREPHX1CES2LMNAMAPT

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-2002100911-A1 RESIN COMPOSITIONS, AND OPTICAL LENS PREPARED THEREBY DOOSAN CORPORATION ELECTRO-MATERIALS BG (KR) 2002-12-19 WO disclosed