SCHEMBL27618684

SCHEMBL27618684

CCCCOC(=O)c1ccc(OC)cc1C(=O)c1ccc(O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.59
MAPK1 P28482 4/20 0.59
ESR1 P03372 4/20 0.59
LMNA P02545 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
CYP1A2 P05177 2/20 0.59
CYP2D6 P10635 2/20 0.59
CYP2C19 P33261 2/20 0.59
NR1H2 P55055 1/20 0.59
RNASEL Q05823 1/20 0.59
TDP1 Q9NUW8 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
NPC1 O15118 3/20 0.49
MAPT P10636 2/20 0.49
RAB9A P51151 2/20 0.49
ALDH1A1 P00352 4/20 0.49
HTT P42858 2/20 0.49
SLC6A2 P23975 2/20 0.49
PGR P06401 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL27600147 0.96 TSHR (0.56) TSHRMAPK1ESR1LMNASMN1; SMN2
SCHEMBL27600154 0.96 TSHR (0.56) TSHRMAPK1ESR1LMNASMN1; SMN2
SCHEMBL28752108 0.88 CA12 (0.54) MAPK1ESR1LMNACYP1A2CYP2D6
SCHEMBL18489560 0.85 TSHR (0.65) TSHRMAPK1ESR1LMNASMN1; SMN2
SCHEMBL31198163 0.83 L3MBTL1 (0.60) TSHRMAPK1ESR1LMNASMN1; SMN2
SCHEMBL27618706 0.83 MAPT (0.58) TSHRMAPK1LMNASMN1; SMN2CYP1A2
SCHEMBL27600146 0.81 ALDH1A1 (0.58) TSHRMAPK1LMNACYP1A2CYP2D6
SCHEMBL7540819 0.81 TSHR (0.67) TSHRMAPK1ESR1LMNASMN1; SMN2
SCHEMBL27892564 0.80 TSHR (0.57) TSHRMAPK1ESR1LMNASMN1; SMN2
SCHEMBL29414998 0.79 HPGD (0.65) TSHRMAPK1LMNACYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100360325-C Multicolor thermal recording medium JUJO PAPER CO LTD (JP) 2008-01-09 CN disclosed
CN-1638973-A multicolor thermosensitive recording medium JUJO PAPER CO LTD (JP) 2005-07-13 CN disclosed