SCHEMBL6038475

SCHEMBL6038475

O=C(O)OC1=CCC(c2ccccc2)(c2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP2C9 P11712 1/20 0.44
AKR1C1 Q04828 1/20 0.36
OPRM1 P35372 3/20 0.34
HDAC4 P56524 5/20 0.33
DAO P14920 1/20 0.33
HTR2A P28223 1/20 0.33
LMNA P02545 1/20 0.32
HSD11B1 P28845 2/20 0.32
OPRL1 P41146 1/20 0.32
HDAC9 Q9UKV0 1/20 0.31

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
SCHEMBL9682167 0.75 MEN1 (0.48) MEN1KMT2ACYP2C9AKR1C1OPRM1
SCHEMBL7575331 0.67 MEN1 (0.52) MEN1KMT2ACYP2C9AKR1C1OPRM1
Bicarbonate SCHEMBL7575333 0.66 MEN1 (0.60) MEN1KMT2ACYP2C9AKR1C1OPRM1
SCHEMBL7162669 0.66
SCHEMBL13983792 0.66 ADORA3 (0.50) MEN1KMT2ACYP2C9AKR1C1OPRM1
SCHEMBL30755222 0.65 KMT2A (0.41) MEN1KMT2ACYP2C9LMNA
Succinimide SCHEMBL31013191 0.63 CRBN (0.45)
SCHEMBL743693 0.63 MEN1 (1.00) MEN1KMT2ACYP2C9AKR1C1OPRM1
Methyl Alcohol SCHEMBL27817355 0.62 MEN1 (0.88) MEN1KMT2ACYP2C9AKR1C1OPRM1
SCHEMBL933788 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7074533-B2 Photoconductive members XEROX CORPORATION (US) 2006-07-11 US disclosed
US-20050170273-A1 Photoconductive members XEROX CORPORATION 2005-08-04 US disclosed
US-6919154-B2 Photoconductive members XEROX CORPORATION (US) 2005-07-19 US disclosed
US-20040224244-A1 Photoconductive members XEROX CORPORATION 2004-11-11 US disclosed
US-6713220-B2 RESISTANCE TO LIGHT SHOCK; CHARGE TRANSPORT LAYER CONTAINS DIPHENOQUINONE 3,3',5,5'-TETRA-TERT-BUTYL-4,4'-DIPHENOQUINONE TO ABSORB LIGHT OF WAVELENGTH LESS THAN 700 NM; PHOTOGENERATOR IS A HYDROXYGALLIUM PHTHALOCYANINE XEROX CORPORATION 2004-03-30 US disclosed
US-20030215727-A1 Photoconductive members XEROX CORPORATION 2003-11-20 US disclosed