SCHEMBL6515056

SCHEMBL6515056

CC(O)Oc1ccc(C(C)(C)c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
ESR1 P03372 2/20 0.52
ESR2 Q92731 2/20 0.52
CYP3A4 P08684 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 9/20 0.47
TDP1 Q9NUW8 1/20 0.47
KMT2A Q03164 8/20 0.46
MEN1 O00255 7/20 0.45
HTT P42858 3/20 0.45
GAA P10253 1/20 0.45
POLB P06746 2/20 0.44
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HIF1A Q16665 1/20 0.41
LMNA P02545 2/20 0.40

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
SCHEMBL333514 0.92 HIF1A (0.45) ALDH1A1ESR1ESR2CYP3A4SMN1; SMN2
SCHEMBL20144310 0.87 ALDH1A1 (0.53) ALDH1A1ESR1ESR2CYP3A4SMN1; SMN2
SCHEMBL9457222 0.85 ESR1 (0.59) ALDH1A1ESR1ESR2CYP3A4KDM4E
SCHEMBL16378880 0.85 TAS1R3 (0.43) ALDH1A1ESR1ESR2CYP3A4TDP1
SCHEMBL11578590 0.82 ALDH1A1 (0.52) ALDH1A1ESR1ESR2CYP3A4SMN1; SMN2
SCHEMBL11579049 0.81 ALDH1A1 (0.50) ALDH1A1ESR1ESR2CYP3A4SMN1; SMN2
SCHEMBL607524 0.81 SMN1; SMN2 (0.47) ALDH1A1ESR1ESR2CYP3A4SMN1; SMN2
SCHEMBL2546366 0.80 NR1H4 (0.46) ALDH1A1SMN1; SMN2TDP1KMT2AMEN1
Di(Hydroxyethyl)Ether SCHEMBL9469008 0.80 AR (0.42) ALDH1A1ESR1ESR2CYP3A4SMN1; SMN2
Benzene SCHEMBL28097669 0.80 LMNA (0.52) ALDH1A1KDM4EKMT2AMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1244719-B1 COMPOSITIONS AND ARTICLES MADE THEREFROM 3M INNOVATIVE PROPERTIES CO (US) 2005-01-19 EP disclosed
EP-1244719-A1 COMPOSITIONS AND ARTICLES MADE THEREFROM 3M Innovative Properties Company (US) 2002-10-02 EP disclosed
US-6416838-B1 CROSSLINKABLE MIXTURE CONTAINING UNSATURATED ESTER AND AMIDE MONOMERS, POLYMER HAVING SPECIFIED MOLECULAR RANGE AND SURFACE-MODIFIED PARTICLES 3M INNOVATIVE PROPERTIES COMPANY 2002-07-09 US disclosed
WO-2001030872-A1 COMPOSITIONS AND ARTICLES MADE THEREFROM 3M INNOVATIVE PROPERTIES COMPANY (US) 2001-05-03 WO disclosed