SCHEMBL11529949

SCHEMBL11529949

COc1ccc(OCC(C)(C)C(=O)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
RAB9A P51151 5/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NFKB1 P19838 2/20 0.48
NFKB2 Q00653 2/20 0.48
RELA Q04206 2/20 0.48
TP53 P04637 2/20 0.48
PKM P14618 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
ALDH1A1 P00352 3/20 0.47
PPARA Q07869 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NPC1 O15118 4/20 0.46
POLB P06746 2/20 0.45
DRD3 P35462 1/20 0.45
MAPT P10636 3/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 2/20 0.44

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
SCHEMBL11528029 0.90 SSTR4 (0.48) CES1RAB9ASMN1; SMN2PKMPPARA
SCHEMBL11528361 0.88 PPARA (0.47) CES2CES1RAB9ATP53PPARA
SCHEMBL11528571 0.86 SSTR4 (0.47) CES1SMN1; SMN2ALDH1A1PPARAL3MBTL1
SCHEMBL11735204 0.86 MRGPRX4 (0.47) RAB9ASMN1; SMN2TP53MRGPRX4ALDH1A1
SCHEMBL11530819 0.86 MAP4K4 (0.47) CES2CES1RAB9ASMN1; SMN2MRGPRX4
SCHEMBL11532502 0.84 CES2 (0.49) CES2CES1RAB9ASMN1; SMN2NFKB1
SCHEMBL11529439 0.84 CES2 (0.49) CES2CES1RAB9ASMN1; SMN2NFKB1
SCHEMBL21991543 0.82 PPARA (0.57) RAB9ASMN1; SMN2ALDH1A1PPARANPC1
SCHEMBL11735211 0.80 RXRA (0.44) RAB9APKMMRGPRX4PPARAL3MBTL1
SCHEMBL757100 0.80 CES1 (0.50) CES2CES1SMN1; SMN2ALDH1A1PPARA

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
US-4065503-A HYPOLIPIDEMIC AGENTS SANDOZ, INC. (US) 1977-12-27 US claimed
US-3962459-A Lipidemia treatment with p-phenoxy-alkylphenone compositions SANDOZ, INC. (US) 1976-06-08 US claimed
US-4175138-A α-Alkyl-p-phenoxy benzyl alcohols, compositions and treating lipidemia SANDOZ, INC. (US) 1979-11-20 US disclosed
US-4085149-A HYPOLIPIDEMIC SANDOZ, INC. (US) 1978-04-18 US disclosed
US-4065503-A HYPOLIPIDEMIC AGENTS SANDOZ, INC. (US) 1977-12-27 US disclosed
US-3997567-A HYPOLIPIDEMIC SANDOZ, INC. (US) 1976-12-14 US disclosed
US-3962459-A Lipidemia treatment with p-phenoxy-alkylphenone compositions SANDOZ, INC. (US) 1976-06-08 US disclosed
US-3946119-A Optionally substituted α-tertiary butyl-p-phenoxybenzylamines and their use as hypolipidemic agents SANDOZ, INC. (US) 1976-03-23 US disclosed