SCHEMBL7977575

SCHEMBL7977575

CCOC(=O)C1(CCCCCCCC(=O)N2CCOCC2)CC2=C(C1)C(=O)C(OC)=C(OC)C2=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 2/20 0.44
TSHR P16473 2/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 6/20 0.43
GLA P06280 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
FKBP1A P62942 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL7971422 0.84 RAB9A (0.48) RAB9AL3MBTL1POLBTSHRLMNA
SCHEMBL7961051 0.82 ALDH1A1 (0.37) L3MBTL1POLBLMNAALDH1A1MEN1
SCHEMBL7977541 0.82 CYP4F2 (0.35) TSHRALDH1A1CYP1A2CYP3A4MEN1
SCHEMBL7974447 0.79 CYP4F2 (0.43) L3MBTL1POLBLMNAALDH1A1CYP3A4
SCHEMBL7694058 0.66 GLA (0.65) RAB9AL3MBTL1POLBTSHRLMNA
SCHEMBL7908984 0.65 L3MBTL1 (0.67) RAB9AL3MBTL1POLBTSHRLMNA
SCHEMBL8972353 0.65 L3MBTL1 (0.67) RAB9AL3MBTL1POLBTSHRLMNA
SCHEMBL474080 0.65 L3MBTL1 (0.67) RAB9AL3MBTL1POLBTSHRLMNA
SCHEMBL8973343 0.65 L3MBTL1 (0.67) RAB9AL3MBTL1POLBTSHRLMNA
SCHEMBL8971856 0.65 L3MBTL1 (0.67) RAB9AL3MBTL1POLBTSHRLMNA

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-6326369-B1 ALZHEIMER'S DISEASE TAKEDA CHEMICALS INDUSTRIES, LTD. (JP) 2001-12-04 US disclosed