SCHEMBL9474308

SCHEMBL9474308

CC/C(=C/CO)CC/C=C(\C)CCC=C(C)C

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.70
MAPT P10636 2/20 0.70
MEN1 O00255 2/20 0.70
CYP3A4 P08684 2/20 0.70
ALOX15 P16050 2/20 0.70
ALDH1A1 P00352 1/20 0.70
UGT1A1 P22309 1/20 0.70
SQLE Q14534 7/20 0.61
FNTA P49354 1/20 0.52
FNTB P49356 1/20 0.52
KDM4E B2RXH2 1/20 0.48
ICMT O60725 1/20 0.47

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
SCHEMBL14825999 1.00 KMT2A (0.70) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL9474305 1.00 KMT2A (0.70) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL9474310 1.00 KMT2A (0.70) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL11756512 0.92 KMT2A (0.58) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL11756517 0.92 KMT2A (0.58) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL17919396 0.90 KMT2A (0.56) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL23458541 0.87 SQLE (0.65) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL23477943 0.87 SQLE (0.65) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL24885792 0.87 SQLE (0.65) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL23478018 0.87 SQLE (0.65) KMT2AMAPTMEN1CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5273969-A A phosphonylmethylphosphoalkylaminoalkane derivative E. R. SQUIBB & SONS, INC. (US) 1993-12-28 US disclosed
US-5212164-A Hypocholesterolemic and antiatherosclerotic agents E. R. SQUIBB & SONS, INC. (US) 1993-05-18 US disclosed
EP-0409181-A2 Phosphorus-containing squalene synthetase inhibitors and method for their preparation E.R. SQUIBB & SONS, INC. (US) 1991-01-23 EP disclosed