SCHEMBL15823715

SCHEMBL15823715

CC(=O)/C=C\C[C@H](C)CCCC(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BLM P54132 1/20 0.46
▸ LMNA P02545 2/20 0.43
▸ PTPN1 P18031 2/20 0.41
▸ CYP3A4 P08684 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MEN1 O00255 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PTGS1 P23219 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ SNCA P37840 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ CHRNB2 P17787 1/20 0.32
▸ CHRNB4 P30926 1/20 0.32
▸ CHRNA3 P32297 1/20 0.32
▸ CHRNA4 P43681 1/20 0.32
▸ CA1 P00915 1/20 0.30
▸ MAPT P10636 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
SCHEMBL2502156 1.00 BLM (0.46) BLMLMNAPTPN1CYP3A4ALDH1A1
SCHEMBL10548139 1.00 BLM (0.46) BLMLMNAPTPN1CYP3A4ALDH1A1
SCHEMBL10548147 1.00 BLM (0.46) BLMLMNAPTPN1CYP3A4ALDH1A1
SCHEMBL2502158 1.00 BLM (0.46) BLMLMNAPTPN1CYP3A4ALDH1A1
SCHEMBL20421415 0.98 BLM (0.48) BLMLMNAPTPN1CYP3A4ALDH1A1
SCHEMBL11762171 0.94 LMNA (0.41) BLMLMNAPTPN1CYP3A4ALDH1A1
SCHEMBL11762165 0.94 LMNA (0.41) BLMLMNAPTPN1CYP3A4ALDH1A1
SCHEMBL11757242 0.88 ALDH1A1 (0.36) BLMLMNAPTPN1CYP3A4ALDH1A1
SCHEMBL11757239 0.88 ALDH1A1 (0.36) BLMLMNAPTPN1CYP3A4ALDH1A1
SCHEMBL11764969 0.87 ALDH1A1 (0.40) BLMLMNAPTPN1CYP3A4ALDH1A1

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-2935191-B1 PREPARATION OF (6R,10R)-6,10,14-TRIMETYLPENTADECAN-2-ONE FROM 3,7-DIMETYLOCT-2-ENAL OR 3,7-DIMETYLOCTA-2,6-DIENAL DSM IP ASSETS BV (NL) 2018-08-01 — — EP disclosed
EP-2935191-A1 (6R,10R)-6,10,14-TRIMETYLPENTADECAN-2-ONE PREPARED FROM 3,7-DIMETYLOCT-2-ENAL OR 3,7-DIMETYLOCTA-2,6-DIENAL DSM IP Assets B.V. (NL) 2015-10-28 — — EP disclosed
WO-2014096063-A1 (6R,10R)-6,10,14-TRIMETYLPENTADECAN-2-ONE PREPARED FROM 3,7-DIMETYLOCT-2-ENAL OR 3,7-DIMETYLOCTA-2,6-DIENAL DSM IP ASSETS B.V. (NL) 2014-06-26 — — WO disclosed
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