SCHEMBL9629653

SCHEMBL9629653

CC(C)=CCC/C(C)=C/CC/C(C)=C/COC[PH](=O)O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.53
ALDH1A1 P00352 2/20 0.53
KMT2A Q03164 3/20 0.52
FNTA P49354 6/20 0.50
FNTB P49356 4/20 0.50
PGGT1B P53609 3/20 0.48
MAPT P10636 2/20 0.47
MEN1 O00255 2/20 0.47
CYP3A4 P08684 2/20 0.47
UGT1A1 P22309 1/20 0.47
SQLE Q14534 1/20 0.46

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
SCHEMBL9629657 1.00 ALOX15 (0.53) ALOX15ALDH1A1KMT2AFNTAFNTB
SCHEMBL5320561 0.82 KMT2A (0.70) ALOX15ALDH1A1KMT2AFNTAFNTB
SCHEMBL19873084 0.82 KMT2A (0.70) ALOX15ALDH1A1KMT2AFNTAFNTB
SCHEMBL11851208 0.82 KMT2A (0.70) ALOX15ALDH1A1KMT2AFNTAFNTB
SCHEMBL6061920 0.82 KMT2A (0.70) ALOX15ALDH1A1KMT2AFNTAFNTB
SCHEMBL28008995 0.82 KMT2A (0.70) ALOX15ALDH1A1KMT2AFNTAFNTB
SCHEMBL30531902 0.82 KMT2A (0.70) ALOX15ALDH1A1KMT2AFNTAFNTB
SCHEMBL9629757 0.81 ALDH1A1 (0.47) ALOX15ALDH1A1KMT2AFNTAFNTB
SCHEMBL9629748 0.81 ALDH1A1 (0.47) ALOX15ALDH1A1KMT2AFNTAFNTB
SCHEMBL3400313 0.80 KMT2A (0.65) ALOX15ALDH1A1KMT2AFNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0418814-A2 Isoprenoid phosphinylformic acid squalene synthetase inhibitors and method for preparing the same E.R. SQUIBB & SONS, INC. (US) 1991-03-27 EP claimed
US-5166386-A Inhibit cholesterol biosynthesis E. R. SQUIBB & SONS, INC. (US) 1992-11-24 US disclosed
US-5107011-A Intermediates for anticholesterol agents E. R. SQUIBB & SONS, INC. (US) 1992-04-21 US disclosed
US-5025003-A Anticholesterol agents E. R. SQUIBB & SONS, INC. (US) 1991-06-18 US disclosed
EP-0418814-A2 Isoprenoid phosphinylformic acid squalene synthetase inhibitors and method for preparing the same E.R. SQUIBB & SONS, INC. (US) 1991-03-27 EP disclosed