SCHEMBL3872657

SCHEMBL3872657

C[C@H](O)[C@@H]1CCCC(C)(C)C1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
IDO1 P14902 2/20 0.38
TDO2 P48775 2/20 0.38
UGT2B7 P16662 2/20 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
SCHEMBL3872659 1.00 L3MBTL1 (0.40) L3MBTL1IDO1TDO2UGT2B7
SCHEMBL3875354 1.00 L3MBTL1 (0.40) L3MBTL1IDO1TDO2UGT2B7
SCHEMBL31367956 1.00 L3MBTL1 (0.40) L3MBTL1IDO1TDO2UGT2B7
SCHEMBL187891 1.00 L3MBTL1 (0.40) L3MBTL1IDO1TDO2UGT2B7
Formic Acid SCHEMBL4272672 0.91 L3MBTL1 (0.35) L3MBTL1IDO1TDO2UGT2B7
Acetic Acid SCHEMBL6758956 0.91 L3MBTL1 (0.35) L3MBTL1IDO1TDO2
SCHEMBL26625933 0.86 IDO1 (0.37) L3MBTL1IDO1TDO2UGT2B7
SCHEMBL21786322 0.82 IDO1 (0.34) L3MBTL1IDO1TDO2
SCHEMBL21313314 0.78 IDO1 (0.33) IDO1TDO2
SCHEMBL17748237 0.78 IDO1 (0.33) IDO1TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2119694-B1 Optically Active Ester Compounds and their use in Perfume Compositions INT FLAVORS & FRAGRANCES INC (US) 2011-09-07 EP disclosed
EP-2119694-A1 Optically Active Ester Compounds and their use in Perfume Compositions INTERNATIONAL FLAVORS & FRAGRANCES, INC. (US) 2009-11-18 EP disclosed
US-7563925-B1 Optically active ester compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2009-07-21 US disclosed
US-7563925-B1 Optically active ester compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2009-07-21 US disclosed
US-7563925-B1 Optically active ester compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2009-07-21 US disclosed