SCHEMBL8926617

SCHEMBL8926617

C=CCCCC(C=C)C(C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
ABCC4 O15439 1/20 0.38
ALDH1A1 P00352 6/20 0.34
LMNA P02545 2/20 0.34
DDAH1 O94760 1/20 0.34
USP2 O75604 2/20 0.33
CYP3A4 P08684 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 2/20 0.32
RECQL P46063 1/20 0.31
FAAH O00519 2/20 0.31
MGLL Q99685 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL22367640 0.82 MAPT (0.42) MAPTABCC4ALDH1A1LMNADDAH1
SCHEMBL8925055 0.81 ACE2 (0.46) MAPTALDH1A1
SCHEMBL12023698 0.79 ABCC4 (0.44) MAPTABCC4ALDH1A1LMNATSHR
SCHEMBL7334425 0.78 OR51E2 (0.33) TSHR
SCHEMBL22367755 0.77 MAPT (0.45) MAPTABCC4ALDH1A1LMNADDAH1
SCHEMBL2805648 0.76 MAPT (0.43) MAPTABCC4ALDH1A1LMNADDAH1
SCHEMBL29954548 0.76 BLM (0.50) MAPTABCC4ALDH1A1LMNAUSP2
SCHEMBL12113872 0.76 BLM (0.50) MAPTABCC4ALDH1A1LMNAUSP2
SCHEMBL22367767 0.76 MAPT (0.39) MAPTABCC4ALDH1A1LMNADDAH1
SCHEMBL3109520 0.76 BLM (0.50) MAPTABCC4ALDH1A1LMNAUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5599960-A UNSATURATED ESTERS AS INTERMEDIATES FOR FURANONE ORGANOLEPTICS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1997-02-04 US disclosed
US-5583237-A CATALYTICALLY REACTING 2,7-OCTADIENOL/1-/ WITH TRIALKYL ORTHOPROPIONATE IN PRESENCE OF LEWIS ACID YIELDS ALKYL ESTER WHICH IS SAPONIFIED, HYDROLYZED AND DISTILLED, THEN LACTONIZATION AND ISOLATION INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1996-12-10 US disclosed