SCHEMBL5030948

SCHEMBL5030948

CCCCOC(=O)c1ccc(-c2cccc(C(=O)OCCCC)c2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.60
CYP2C19 P33261 3/20 0.60
ESR1 P03372 3/20 0.60
LMNA P02545 3/20 0.60
TSHR P16473 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
CYP2D6 P10635 1/20 0.60
MAPK1 P28482 1/20 0.60
NR1H2 P55055 1/20 0.60
RNASEL Q05823 1/20 0.60
CYP2C9 P11712 2/20 0.59
CYP3A4 P08684 1/20 0.59
PDE4D Q08499 1/20 0.59
HPGD P15428 2/20 0.54
RECQL P46063 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
MAPT P10636 1/20 0.52
ALDH1A1 P00352 1/20 0.52

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
SCHEMBL13996229 0.97 L3MBTL1 (0.56) CYP1A2CYP2C19ESR1LMNATSHR
SCHEMBL15902063 0.94 ALDH1A1 (0.61) CYP1A2CYP2C19ESR1LMNATSHR
SCHEMBL18736317 0.92 ESR1 (0.66) CYP1A2CYP2C19ESR1LMNATSHR
SCHEMBL5030817 0.90 ESR1 (0.56) CYP1A2CYP2C19ESR1LMNATSHR
SCHEMBL27337977 0.88 CNR2 (0.67) LMNATSHRMAPK1CYP3A4ALDH1A1
SCHEMBL15902429 0.88 CNR2 (0.62) ESR1LMNATSHRMAPK1CYP3A4
SCHEMBL12832705 0.88 TSHR (0.68) CYP1A2CYP2C19ESR1LMNATSHR
SCHEMBL13996230 0.87 ESR1 (0.77) CYP1A2CYP2C19ESR1LMNATSHR
SCHEMBL5028687 0.87 ESR1 (0.77) CYP1A2CYP2C19ESR1LMNATSHR
SCHEMBL16724888 0.87 CNR2 (0.65) ESR1LMNATSHRMAPK1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459263-B2 Optical recording media with triplet-sensitized isomerization EASTMAN KODAK COMPANY (US) 2008-12-02 US disclosed
US-7459263-B2 Optical recording media with triplet-sensitized isomerization EASTMAN KODAK COMPANY (US) 2008-12-02 US disclosed
US-20050136357-A1 Optical recording media with triplet-sensitzed isomerization FPC INC. 2005-06-23 US disclosed