SCHEMBL9756796

SCHEMBL9756796

CC(C)CCC[C@@H](C)CC[Mg]Br

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.59
BLM P54132 1/20 0.43
PTPN1 P18031 2/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL9717073 1.00 LMNA (0.59) LMNABLMPTPN1MEN1CYP3A4
SCHEMBL9017128 1.00 LMNA (0.59) LMNABLMPTPN1MEN1CYP3A4
Water SCHEMBL15312410 0.98 LMNA (0.56) LMNABLMPTPN1MEN1CYP3A4
SCHEMBL10535505 0.91 LMNA (0.59) LMNABLMPTPN1MEN1CYP3A4
SCHEMBL10535502 0.91 LMNA (0.59) LMNABLMPTPN1MEN1CYP3A4
SCHEMBL11455553 0.83 LMNA (0.62) LMNABLMPTPN1MEN1CYP3A4
SCHEMBL11463913 0.83 LMNA (0.62) LMNABLMPTPN1MEN1CYP3A4
SCHEMBL669828 0.79
SCHEMBL336892 0.79
SCHEMBL20928 0.79 LMNA (0.93) LMNABLMPTPN1MEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0316374-B1 OPTICALLY ACTIVE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 1991-07-31 EP disclosed
EP-0316374-A1 OPTICALLY ACTIVE COMPOUNDS. HOFFMANN LA ROCHE (CH) 1989-05-24 EP disclosed
WO-1988008838-A1 OPTICALLY ACTIVE COMPOUNDS F. HOFFMANN-LA ROCHE & CO. AKTIENGESELLSCHAFT (CH) 1988-11-17 WO disclosed
US-4110346-A Tetramethyl chromanyl pentane derivatives HOFFMANN-LA ROCHE INC. (US) 1978-08-29 US disclosed
US-4088662-A Optically active amides and process for producing the same HOFFMANN-LA ROCHE INC. (US) 1978-05-09 US disclosed
US-4086249-A Tetramethyl chromanyl pentane amide HOFFMANN-LA ROCHE INC. (US) 1978-04-25 US disclosed
US-4076739-A Synthesis of vitamin E HOFFMANN-LA ROCHE INC. (US) 1978-02-28 US disclosed
US-4016178-A Synthesis of vitamin E HOFFMANN-LA ROCHE INC. (US) 1977-04-05 US disclosed