SCHEMBL9846084

SCHEMBL9846084

C=CCC=C(C)CC.C=CCCC(C)=CCC

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.39
ALOX15 P16050 3/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.31
CYP3A4 P08684 2/20 0.31
MAPT P10636 2/20 0.31
ALDH1A1 P00352 1/20 0.31
UGT1A1 P22309 1/20 0.31
TSHR P16473 1/20 0.30
SQLE Q14534 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
SCHEMBL9846080 1.00 LSS (0.39) LSSALOX15KMT2AMEN1CYP3A4
SCHEMBL544038 0.86
SCHEMBL847591 0.86
SCHEMBL846934 0.82
SCHEMBL846935 0.82
SCHEMBL3641110 0.82
SCHEMBL61423 0.74 KMT2A (0.62) ALOX15KMT2AMEN1CYP3A4MAPT
SCHEMBL61424 0.74 KMT2A (0.62) ALOX15KMT2AMEN1CYP3A4MAPT
SCHEMBL846891 0.74 ALDH1A1 (0.44) LSSALOX15KMT2AMEN1CYP3A4
SCHEMBL846892 0.74 ALDH1A1 (0.44) LSSALOX15KMT2AMEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0411937-A2 Catalyst for polymerization of olefins Tonen Corporation (JP) 1991-02-06 EP disclosed