SCHEMBL7705563

SCHEMBL7705563

C=CC(C)CCCC(C)(C)OC(=O)CCC(=O)CCCCCC

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
LMNA P02545 2/20 0.37
MAPT P10636 3/20 0.36
KMT2A Q03164 1/20 0.36
HTR2C P28335 1/20 0.33
MAPK1 P28482 1/20 0.33
DGKA P23743 1/20 0.33
FAAH O00519 7/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL3162009 0.90 TSHR (0.38) TSHRLMNAMAPTKMT2AMAPK1
SCHEMBL8668332 0.87 MEN1 (0.31) TSHRKMT2A
SCHEMBL5186531 0.85 LMNA (0.41) LMNAMAPTKMT2AHTR2CMAPK1
SCHEMBL8580050 0.85 TSHR (0.34) TSHRLMNAMAPTKMT2AMAPK1
SCHEMBL7706121 0.84 GPR84 (0.43) TSHRLMNAMAPTFAAH
Lithium Ion SCHEMBL8502167 0.84 TSHR (0.33) TSHRLMNAMAPTKMT2AMAPK1
SCHEMBL9847790 0.76 HTR2C (0.39) LMNAMAPTKMT2AHTR2CDGKA
SCHEMBL5188239 0.76 CTSK (0.31) LMNAHTR2C
SCHEMBL8041219 0.74 DGKA (0.52) TSHRLMNAMAPTKMT2AMAPK1
SCHEMBL20918464 0.74 DGKA (0.52) TSHRLMNAMAPTKMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6369248-B1 HYDROXY ESTERS FOR PERFUMES GIVAUDAN SA (CH) 2002-04-09 US disclosed
EP-0989970-A1 FRAGRANCE PRECURSOR COMPOUNDS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 2000-04-05 EP disclosed
WO-1998058899-A1 FRAGRANCE PRECURSOR COMPOUNDS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1998-12-30 WO disclosed