SCHEMBL11445909

SCHEMBL11445909

CC(C)CCCC(C)CC(=O)CC(C)CO

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.48
LMNA P02545 1/20 0.46
PTPN1 P18031 3/20 0.39
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 2/20 0.34
CA1 P00915 2/20 0.32
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PTPN2 P17706 1/20 0.30
CDC25B P30305 1/20 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
SCHEMBL11453396 1.00 BLM (0.48) BLMLMNAPTPN1MEN1CYP3A4
SCHEMBL6271680 0.91 BLM (0.56) BLMLMNAPTPN1MEN1CYP3A4
SCHEMBL811625 0.83 BLM (0.48) BLMLMNAPTPN1MEN1CYP3A4
SCHEMBL114059 0.79 LMNA (0.63) BLMLMNAPTPN1MEN1CYP3A4
SCHEMBL3995713 0.79 LMNA (0.63) BLMLMNAPTPN1MEN1CYP3A4
SCHEMBL26109378 0.78 BLM (0.56) BLMLMNAPTPN1MEN1CYP3A4
SCHEMBL11363905 0.77 LMNA (0.68) BLMLMNAPTPN1MEN1CYP3A4
SCHEMBL9466533 0.77 LMNA (0.68) BLMLMNAPTPN1MEN1CYP3A4
SCHEMBL11359162 0.77 LMNA (0.68) BLMLMNAPTPN1MEN1CYP3A4
SCHEMBL9756758 0.77 LMNA (0.68) BLMLMNAPTPN1MEN1CYP3A4

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
US-4191842-A Protected alcohols HOFFMANN-LA ROCHE INC. (US) 1980-03-04 US disclosed
US-4182776-A Method of treating lipidemia with aryloxyalkylaminobenzoic acids and esters AMERICAN CYANAMID COMPANY (US) 1980-01-08 US disclosed
US-4151205-A Synthesis of vitamin E HOFFMAN-LA ROCHE INC. (US) 1979-04-24 US disclosed
US-4051153-A Intermediates in the synthesis of vitamin E HOFFMANN-LA ROCHE INC. (US) 1977-09-27 US disclosed