SCHEMBL14088409

SCHEMBL14088409

C=CC(=O)OCCCCCCc1ccc2c(c1)Cc1cc(OCCC)ccc1-2

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.46
TSHR P16473 2/20 0.42
HPGD P15428 1/20 0.42
CNR1 P21554 5/20 0.40
CNR2 P34972 5/20 0.40
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTR2A P28223 2/20 0.39
PTPN11 Q06124 2/20 0.38
S1PR1 P21453 1/20 0.38
BRD4 O60885 1/20 0.37
SLC5A1 P13866 1/20 0.36
SLC5A2 P31639 1/20 0.36
PLA2G4B P0C869 1/20 0.36

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
SCHEMBL14088416 0.96 THRB (0.51) THRBTSHRHPGDCNR1CNR2
SCHEMBL14088415 0.93 TSHR (0.49) THRBTSHRHPGDL3MBTL1ALDH1A1
SCHEMBL14088419 0.88 THRB (0.47) THRBTSHRHPGDCNR1CNR2
SCHEMBL14088417 0.88 THRB (0.44) THRBTSHRHPGDLMNAL3MBTL1
SCHEMBL14088460 0.87 THRB (0.48) THRBTSHRHPGDLMNAL3MBTL1
SCHEMBL14088446 0.87 THRB (0.46) THRBTSHRHPGDCNR1CNR2
SCHEMBL14088413 0.86 TSHR (0.42) TSHRHPGDL3MBTL1ALDH1A1CYP3A4
SCHEMBL14088451 0.85 THRB (0.48) THRBTSHRHPGDLMNAALDH1A1
SCHEMBL14088462 0.84 THRB (0.49) THRBTSHRHPGDLMNAL3MBTL1
SCHEMBL14088439 0.84 THRB (0.47) THRBTSHRHPGDCNR1CNR2

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
US-7410677-B2 Organosilicon compound-containing polymerizable liquid-crystal composition CHISSO CORPORATION (JP) 2008-08-12 US disclosed