SCHEMBL7589662

SCHEMBL7589662

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

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.64
ALOX15 P16050 3/20 0.63
MAPT P10636 2/20 0.63
MEN1 O00255 2/20 0.63
CYP3A4 P08684 2/20 0.63
ALDH1A1 P00352 1/20 0.63
UGT1A1 P22309 1/20 0.63
SQLE Q14534 7/20 0.61
KDM4E B2RXH2 1/20 0.52
ICMT O60725 1/20 0.50

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
SCHEMBL7589665 1.00 KMT2A (0.64) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL7562565 1.00 KMT2A (0.64) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL7562570 1.00 KMT2A (0.64) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL7560079 0.91 TSHR (0.54) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL9474487 0.86 SQLE (0.70) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL9474498 0.86 SQLE (0.70) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL28588501 0.83 KMT2A (0.64) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL29462483 0.83 KMT2A (0.64) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL83307 0.83 KMT2A (0.64) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL160736 0.83 KMT2A (0.64) KMT2AALOX15MAPTMEN1CYP3A4

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
WO-2023009610-A1 METHODS FOR SYNTHESIS OF RACEMIC, SCALEMIC, AND CHIRAL ALPHA-TOCOTRIENOL QUINONE PTC THERAPEUTICS, INC. (US) 2023-02-02 WO disclosed
EP-1013652-B1 Process for preparation of substituted chromanderivatives BASF AG (DE) 2002-08-14 EP disclosed
EP-1013652-A2 Process for preparation of substituted chromanderivatives BASF AKTIENGESELLSCHAFT (DE) 2000-06-28 EP disclosed