SCHEMBL21962034

SCHEMBL21962034

C=C(C)C=CCCC(C)=CC/C(C)=C/C

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.32
CYP3A4 P08684 2/20 0.32
ALOX15 P16050 2/20 0.32
MAPT P10636 2/20 0.31
ALDH1A1 P00352 1/20 0.31
UGT1A1 P22309 1/20 0.31
SQLE Q14534 2/20 0.31
NR1I2 O75469 1/20 0.31
LMNA P02545 1/20 0.31
PGR P06401 1/20 0.31
LSS P48449 2/20 0.30
FNTA P49354 2/20 0.30
FNTB P49356 2/20 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
SCHEMBL1304363 1.00 KMT2A (0.34) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL1304362 1.00 KMT2A (0.34) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL8384582 0.81
SCHEMBL8384581 0.81
SCHEMBL21962033 0.77 KMT2A (0.39) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL21962032 0.77 KMT2A (0.39) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL24135950 0.77 ALDH1A1 (0.32) ALDH1A1
SCHEMBL4321897 0.77 ALDH1A1 (0.32) ALDH1A1
SCHEMBL4321903 0.77 ALDH1A1 (0.32) ALDH1A1
SCHEMBL28800972 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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