SCHEMBL7554092

SCHEMBL7554092

C=CCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCC=C)S(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.40
ALDH1A1 P00352 5/20 0.39
LPAR3 Q9UBY5 2/20 0.39
LMNA P02545 2/20 0.39
LPAR2 Q9HBW0 1/20 0.39
CYP3A4 P08684 3/20 0.37
TSHR P16473 1/20 0.37
MAPT P10636 4/20 0.36
ABCC4 O15439 1/20 0.36
USP2 O75604 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.34
FAAH O00519 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
NAAA Q02083 1/20 0.32
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL7553073 0.93 RECQL (0.47) RECQLALDH1A1LMNATSHRMAPT
SCHEMBL7554154 0.85 LPAR3 (0.37) RECQLALDH1A1LPAR3LMNALPAR2
SCHEMBL10334315 0.85 LPAR3 (0.37) RECQLALDH1A1LPAR3LMNALPAR2
SCHEMBL28040905 0.83 ALDH1A1 (0.40) RECQLALDH1A1LMNALPAR2TSHR
Propene SCHEMBL20592875 0.82 RECQL (0.50) RECQLTSHRMAPTHPGDFAAH
SCHEMBL789279 0.81 FAAH (0.53) RECQLALDH1A1MAPTFAAHNAAA
Potassium SCHEMBL30060690 0.80 FAAH (0.52) RECQLALDH1A1MAPTFAAHNAAA
SCHEMBL4000332 0.80 TSHR (0.54) RECQLTSHRMAPTHPGDFAAH
SCHEMBL19725740 0.80 TSHR (0.50) RECQLTSHRMAPTHPGDFAAH
SCHEMBL2280203 0.80 TSHR (0.50) RECQLTSHRMAPTHPGDFAAH

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
EP-0866715-B1 COMBINATION OF A MYRTLE EXTRACT AND ANTIFUNGAL AGENTS FABRE PIERRE DERMO COSMETIQUE (FR) 2002-07-17 EP claimed
EP-0866715-A1 COMBINATION OF A MYRTLE EXTRACT AND ANTIFUNGAL AGENTS Pierre Fabre Dermo-Cosmetique (FR) 1998-09-30 EP claimed
WO-1997018823-A1 COMBINATION OF A MYRTLE EXTRACT AND ANTIFUNGAL AGENTS PIERRE FABRE DERMO-COSMETIQUE (FR) 1997-05-29 WO claimed