SCHEMBL4629990

SCHEMBL4629990

COC(=O)O[C@H]1C[C@H](C)CC(C)(C)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.54
NR1I2 O75469 1/20 0.54
ABCB11 O95342 1/20 0.54
ALDH1A1 P00352 5/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CTDSP1 Q9GZU7 1/20 0.36
HTT P42858 2/20 0.35
PPP1CA P62136 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
APLNR P35414 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
IDH1 O75874 1/20 0.31
CYP2D6 P10635 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
SCHEMBL11591693 1.00 LMNA (0.54) LMNANR1I2ABCB11ALDH1A1CYP3A4
SCHEMBL4629992 1.00 LMNA (0.54) LMNANR1I2ABCB11ALDH1A1CYP3A4
SCHEMBL4629991 1.00 LMNA (0.54) LMNANR1I2ABCB11ALDH1A1CYP3A4
SCHEMBL4630600 1.00 LMNA (0.54) LMNANR1I2ABCB11ALDH1A1CYP3A4
SCHEMBL11591282 0.94 ALDH1A1 (0.56) LMNANR1I2ABCB11ALDH1A1CYP3A4
SCHEMBL11591288 0.94 ALDH1A1 (0.56) LMNANR1I2ABCB11ALDH1A1CYP3A4
SCHEMBL6129231 0.87 LMNA (0.54) LMNANR1I2ABCB11ALDH1A1CYP3A4
SCHEMBL11124584 0.87 LMNA (0.54) LMNANR1I2ABCB11ALDH1A1CYP3A4
SCHEMBL6129232 0.87 LMNA (0.54) LMNANR1I2ABCB11ALDH1A1CYP3A4
SCHEMBL9694247 0.82 LMNA (0.48) LMNANR1I2ABCB11ALDH1A1CYP3A4

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
EP-1698684-B1 Alkyl cycloheptylmethyl carbonates and perfume compositions KAO CORP (JP) 2008-05-14 EP disclosed
EP-1698684-A1 Alkyl cycloheptylmethyl carbonates and perfume compositions Kao Corporation (JP) 2006-09-06 EP disclosed
US-4080309-A Carbonic acid ester perfumes HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DT) 1978-03-21 US disclosed
US-4033993-A Cycloalkyl carbonates HENKEL & CIE G.M.B.H. (DT) 1977-07-05 US disclosed