SCHEMBL11738540

SCHEMBL11738540

CC(C)(CO)Cc1cccc(C2(C)OCCO2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.36
TSHR P16473 3/20 0.36
MAPK1 P28482 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GMNN O75496 1/20 0.36
GABBR2 O75899 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
NFKB1 P19838 1/20 0.36
CYP2C19 P33261 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
ATM Q13315 1/20 0.36
HIF1A Q16665 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL856097 0.82 OPRM1 (0.40) LMNATSHRMAPK1ALDH1A1MEN1
SCHEMBL28802172 0.79 CTSD (0.35) LMNATSHRMAPK1ALDH1A1CYP1A2
SCHEMBL27899553 0.77 TSHR (0.38) LMNATSHRMAPK1ALDH1A1MEN1
SCHEMBL29866080 0.75 TSHR (0.39) LMNATSHRMAPK1ALDH1A1MEN1
SCHEMBL6158666 0.75 TSHR (0.39) LMNATSHRMAPK1ALDH1A1MEN1
SCHEMBL507495 0.75 SMN1; SMN2 (0.44) LMNATSHRMAPK1ALDH1A1CYP3A4
SCHEMBL29793660 0.75 SMN1; SMN2 (0.44) LMNATSHRMAPK1ALDH1A1CYP3A4
SCHEMBL1706213 0.74 MTNR1A (0.36) LMNATSHRMAPK1ALDH1A1CYP1A2
SCHEMBL1706364 0.74 AKR1B1 (0.43) LMNATSHRALDH1A1CYP1A2NFKB1
SCHEMBL3321567 0.73 RXRA (0.37) LMNATSHRMAPK1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4051261-A HYPOLIPIDEMIC, ANTIDIABETIC SANDOZ, INC. (US) 1977-09-27 US disclosed