SCHEMBL6901305

SCHEMBL6901305

OCCOc1ccc(C(CCC(c2ccccc2)c2ccccc2)c2ccc(OCCO)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.64
RECQL P46063 1/20 0.64
GAA P10253 1/20 0.54
HRH3 Q9Y5N1 2/20 0.46
LTA4H P09960 1/20 0.45
NR1I2 O75469 1/20 0.44
KCNA3 P22001 1/20 0.43
CYP19A1 P11511 1/20 0.43
GPR88 Q9GZN0 3/20 0.43
MEN1 O00255 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
PKM P14618 1/20 0.42
CYP3A4 P08684 1/20 0.41
FFAR1 O14842 1/20 0.41

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
SCHEMBL21903452 0.87 ALDH1A1 (0.67) ALDH1A1RECQLGAALTA4HNR1I2
SCHEMBL5390591 0.86 ALDH1A1 (0.60) ALDH1A1RECQLGAALTA4HNR1I2
SCHEMBL28890806 0.86 MAPK1 (0.50) ALDH1A1RECQLGAANR1I2GPR88
SCHEMBL9424257 0.84 ALDH1A1 (0.52) ALDH1A1RECQLGAALTA4HNR1I2
SCHEMBL8408712 0.84 ALDH1A1 (0.62) ALDH1A1RECQLGAALTA4HNR1I2
SCHEMBL8697970 0.83 ALDH1A1 (0.56) ALDH1A1RECQLGAALTA4HNR1I2
SCHEMBL23794865 0.82 ALDH1A1 (0.60) ALDH1A1RECQLGAALTA4HNR1I2
SCHEMBL28452322 0.81 SLC2A1 (0.51) ALDH1A1RECQLLTA4HNR1I2MEN1
SCHEMBL11027461 0.81 ALDH1A1 (0.58) ALDH1A1RECQLGAALTA4HNR1I2
Phenoxyethanol SCHEMBL167128 0.80 ALDH1A1 (1.00) ALDH1A1RECQLGAALTA4HNR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1025184-B1 ENHANCED DYE DURABILITY THROUGH CONTROLLED DYE ENVIRONMENT MINNESOTA MINING & MFG (US) 2004-01-02 EP disclosed
US-6498218-B2 INTERPENETRATING POLYMER NETWORK 3M INNOVATIVE PROPERTIES CO (US) 2002-12-24 US disclosed
US-20020132900-A1 Enhanced dye durability through controlled dye environment 3M INNOVATIVE PROPERTIES COMPANY 2002-09-19 US disclosed
US-6395844-B1 INTERPENETRATING POLYMER NETWORK COMPRISING OLEFIN AND AROMATIC POLYACRYLATE COMPONENTS AND FLUORESCENT DYE DISPERSED 3M INNOVATIVE PROPERTIES COMPANY 2002-05-28 US disclosed
US-6001936-A INTERPENETRATING NETWORK POLYMER AND DYE 3M INNOVATIVE PROPERTIES COMPANY (US) 1999-12-14 US disclosed