SCHEMBL7201146

SCHEMBL7201146

CCC(C)(O)CC/C=C(\C)CCC=C(C)C

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.62
KMT2A Q03164 3/20 0.57
MAPT P10636 2/20 0.52
MEN1 O00255 2/20 0.52
CYP3A4 P08684 2/20 0.52
ALDH1A1 P00352 1/20 0.52
UGT1A1 P22309 1/20 0.52
SQLE Q14534 7/20 0.50
KDM4E B2RXH2 1/20 0.47
GGPS1 O95749 1/20 0.45

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
SCHEMBL7201150 1.00 ALOX15 (0.62) ALOX15KMT2AMAPTMEN1CYP3A4
SCHEMBL24002441 1.00 ALOX15 (0.62) ALOX15KMT2AMAPTMEN1CYP3A4
SCHEMBL28643457 1.00 ALOX15 (0.62) ALOX15KMT2AMAPTMEN1CYP3A4
SCHEMBL3507040 1.00 ALOX15 (0.62) ALOX15KMT2AMAPTMEN1CYP3A4
SCHEMBL214881 0.88 ALOX15 (0.54) ALOX15KMT2AMAPTMEN1CYP3A4
SCHEMBL18643950 0.88 ALOX15 (0.54) ALOX15KMT2AMAPTMEN1CYP3A4
SCHEMBL24967637 0.87 ALOX15 (0.60) ALOX15KMT2AMAPTMEN1CYP3A4
SCHEMBL16618412 0.87 ALOX15 (0.64) ALOX15KMT2AMAPTMEN1CYP3A4
SCHEMBL16618409 0.87 ALOX15 (0.64) ALOX15KMT2AMAPTMEN1CYP3A4
SCHEMBL30679711 0.86 ALOX15 (0.56) ALOX15KMT2AMAPTMEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8283774-A None JP disclosed
JP-8283774-A None JP disclosed
CN-111099986-B Hydrogenation process 郑州大学 2023-02-03 CN disclosed
CN-111099986-A Hydrogenation process 郑州大学 2020-05-05 CN disclosed
EP-1092700-B1 Process for the preparation of unsaturated 4,5-allene ketones, 3,5-dienketones and the corresponding saturated ketones DEGUSSA (DE) 2003-10-22 EP disclosed
US-6380437-B1 REACTING A TERTIARY PROPARGYL ALCOHOL WITH ALKENYL ALKYL ETHER OR KETAL; HEATING, PRESSURIZATION IN PRESENCE OF SULFONIC ACID DEGUSSA AG (DE) 2002-04-30 US disclosed
EP-1092700-A1 Process for the preparation of unsaturated 4,5-allene ketones, 3,5-dienketones and the corresponding saturated ketones Degussa-Hüls Aktiengesellschaft (DE) 2001-04-18 EP disclosed
JP-H08283774-A PERFUME COMPOSITION CONTAINING (6E)-3,7,11-TRIMETHYL-6,10-DODECADIEN-3-OL TAKASAGO INTERNATL CORP 1996-10-29 JP disclosed
JP-H08283774-A PERFUME COMPOSITION CONTAINING (6E)-3,7,11-TRIMETHYL-6,10-DODECADIEN-3-OL TAKASAGO INTERNATL CORP 1996-10-29 JP disclosed