SCHEMBL21962033

SCHEMBL21962033

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
ALOX15 P16050 3/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 2/20 0.35
CYP3A4 P08684 2/20 0.35
ALDH1A1 P00352 1/20 0.35
UGT1A1 P22309 1/20 0.35
SQLE Q14534 6/20 0.34
FNTA P49354 2/20 0.33
FNTB P49356 2/20 0.33
PTPN1 P18031 1/20 0.33
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL21962032 1.00 KMT2A (0.39) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL7042897 0.81 FNTA (0.41) KMT2AMAPTMEN1ALDH1A1FNTA
SCHEMBL7042899 0.81 FNTA (0.41) KMT2AMAPTMEN1ALDH1A1FNTA
SCHEMBL24135950 0.81 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL4321903 0.81 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL4321897 0.81 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL849107 0.77 KMT2A (0.46) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL849108 0.77 KMT2A (0.46) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL21962034 0.77 KMT2A (0.34) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL1304362 0.77 KMT2A (0.34) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4077601-A1 POLYMERIC SURFACTANT COMPOUND The Lubrizol Corporation (US) 2022-10-26 EP claimed
EP-4077601-A1 POLYMERIC SURFACTANT COMPOUND The Lubrizol Corporation (US) 2022-10-26 EP disclosed
EP-3880775-A1 ALKYLBENZENE SULFONATE DETERGENTS The Lubrizol Corporation (US) 2021-09-22 EP disclosed
WO-2020102672-A1 ALKYLBENZENE SULFONATE DETERGENTS THE LUBRIZOL CORPORATION (US) 2020-05-22 WO disclosed