SCHEMBL11615985

SCHEMBL11615985

C/C=C/C(=O)[C@H]1[C@@H](C)CCCC1(C)C

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 3/20 0.33

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
SCHEMBL6653172 1.00 UGT2B7 (0.33) UGT2B7
SCHEMBL6651393 1.00 UGT2B7 (0.33) UGT2B7
SCHEMBL5077283 1.00 UGT2B7 (0.33) UGT2B7
SCHEMBL5075119 1.00 UGT2B7 (0.33) UGT2B7
SCHEMBL6651395 1.00 UGT2B7 (0.33) UGT2B7
SCHEMBL11228060 1.00 UGT2B7 (0.33) UGT2B7
SCHEMBL6653180 1.00 UGT2B7 (0.33) UGT2B7
SCHEMBL4606381 1.00 UGT2B7 (0.33) UGT2B7
SCHEMBL11800434 1.00 UGT2B7 (0.33) UGT2B7
SCHEMBL5075118 1.00 UGT2B7 (0.33) UGT2B7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3956392-A PERFUME, FLAVORS P.F.W. BEHEER B.V. (NL) 1976-05-11 US claimed
EP-1347036-B1 Isomer composition excellent in chemical resistance containing optically active trans-1(2,2,6-trimethylcyclohexyl)-2-buten-1-one and fragrance composition containing the isomer composition TAKASAGO PERFUMERY CO LTD (JP) 2008-06-25 EP disclosed
US-4109022-A ORGANOLEPTIC; FRUIT-LIKE P.F.W. BEHEER B.V. (NL) 1978-08-22 US disclosed
US-3956392-A PERFUME, FLAVORS P.F.W. BEHEER B.V. (NL) 1976-05-11 US disclosed