SCHEMBL11046795

SCHEMBL11046795

CCCCCCC(C)(O)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.47
GGPS1 O95749 2/20 0.46
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
PKM P14618 1/20 0.45
BCL2 P10415 1/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
CACNA1B Q00975 1/20 0.44
BCHE P06276 2/20 0.44
SMPD1 P17405 1/20 0.44
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
NR4A2 P43354 1/20 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
SCHEMBL10664905 0.99 MAOB (0.48) MAOBGGPS1CYP4F2CYP4A11PKM
SCHEMBL10854965 0.95 MAOB (0.49) MAOBCYP4F2CYP4A11PKMBCL2
SCHEMBL10360914 0.87 MAOB (0.49) MAOBGGPS1PPARGPPARABCHE
SCHEMBL11047085 0.85 MAOB (0.47) MAOBGGPS1CYP4F2CYP4A11PKM
SCHEMBL23923538 0.84 MAOB (0.54) MAOBCYP4F2CYP4A11PKMCACNA1B
SCHEMBL10660231 0.82 MAOB (0.47) MAOBCYP4F2CYP4A11PKMBCL2
SCHEMBL10635136 0.82 GPBAR1 (0.43) GGPS1
SCHEMBL9434943 0.80 MAOB (0.58) MAOBCYP4F2CYP4A11PKMCACNA1B
SCHEMBL10656156 0.79 KDM4E (0.46) GGPS1PPARACACNA1B
SCHEMBL10636289 0.78 GPBAR1 (0.68)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0079168-B1 PROCESS FOR MAKING 1-(3-BENZYLOXYPHENYL)-1,1-DIMETHYLHEPTANE AND INTERMEDIATES THEREFOR PFIZER INC. (US) 1984-08-22 EP claimed
EP-0079168-A1 Process for making 1-(3-benzyloxyphenyl)-1,1-dimethylheptane and intermediates therefor PFIZER INC. (US) 1983-05-18 EP claimed
EP-0079168-B1 PROCESS FOR MAKING 1-(3-BENZYLOXYPHENYL)-1,1-DIMETHYLHEPTANE AND INTERMEDIATES THEREFOR PFIZER INC. (US) 1984-08-22 EP disclosed
EP-0079168-A1 Process for making 1-(3-benzyloxyphenyl)-1,1-dimethylheptane and intermediates therefor PFIZER INC. (US) 1983-05-18 EP disclosed
EP-0079168-A1 Process for making 1-(3-benzyloxyphenyl)-1,1-dimethylheptane and intermediates therefor PFIZER INC. (US) 1983-05-18 EP disclosed
US-4360700-A Intermediates for making 1-(3-benzyloxyphenyl)-1,1-dimethylheptane PFIZER INC. (US) 1982-11-23 US disclosed
US-4360700-A Intermediates for making 1-(3-benzyloxyphenyl)-1,1-dimethylheptane PFIZER INC. (US) 1982-11-23 US disclosed