SCHEMBL9629757

SCHEMBL9629757

CCO[PH](=O)COCC=C(C)CCC=C(C)CCC=C(C)C

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
ALOX15 P16050 2/20 0.47
KMT2A Q03164 2/20 0.46
FNTA P49354 7/20 0.46
FNTB P49356 5/20 0.46
PGGT1B P53609 4/20 0.43
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
UGT1A1 P22309 1/20 0.42
SQLE Q14534 1/20 0.41

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
SCHEMBL9629748 1.00 ALDH1A1 (0.47) ALDH1A1ALOX15KMT2AFNTAFNTB
SCHEMBL9629657 0.81 ALOX15 (0.53) ALDH1A1ALOX15KMT2AFNTAFNTB
SCHEMBL9629653 0.81 ALOX15 (0.53) ALDH1A1ALOX15KMT2AFNTAFNTB
SCHEMBL15370334 0.79 KMT2A (0.61) ALDH1A1ALOX15KMT2AFNTAFNTB
SCHEMBL14077034 0.79 KMT2A (0.61) ALDH1A1ALOX15KMT2AFNTAFNTB
SCHEMBL6442176 0.79 KMT2A (0.61) ALDH1A1ALOX15KMT2AFNTAFNTB
SCHEMBL1704546 0.79 KMT2A (0.61) ALDH1A1ALOX15KMT2AFNTAFNTB
SCHEMBL6442169 0.79 KMT2A (0.61) ALDH1A1ALOX15KMT2AFNTAFNTB
SCHEMBL560299 0.77 ALOX15 (0.58) ALDH1A1ALOX15KMT2AFNTAFNTB
SCHEMBL560298 0.77 ALOX15 (0.58) ALDH1A1ALOX15KMT2AFNTAFNTB

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
US-5107011-A Intermediates for anticholesterol agents E. R. SQUIBB & SONS, INC. (US) 1992-04-21 US claimed