SCHEMBL29008200

SCHEMBL29008200

CCCCOC(=O)c1cccc(C)c1OC(=O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.60
TDP1 Q9NUW8 3/20 0.60
L3MBTL1 Q9Y468 3/20 0.60
MAPK1 P28482 3/20 0.55
CYP3A4 P08684 3/20 0.55
TP53 P04637 1/20 0.55
ALDH1A1 P00352 6/20 0.54
LMNA P02545 4/20 0.54
HSD17B10 Q99714 2/20 0.53
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
ESR1 P03372 2/20 0.47
CYP2D6 P10635 1/20 0.47
NR1H2 P55055 1/20 0.47
RNASEL Q05823 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP2C9 P11712 1/20 0.46
PDE4D Q08499 1/20 0.46

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
SCHEMBL28026736 0.84 TSHR (0.59) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL17502675 0.84 TSHR (0.66) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL28020507 0.84 TSHR (0.66) TSHRTDP1L3MBTL1MAPK1CYP3A4
O-Xylene SCHEMBL19206959 0.82 LMNA (0.69) TSHRTDP1L3MBTL1MAPK1CYP3A4
Dibutyl Phthalate SCHEMBL753014 0.80 TSHR (0.86) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL6057039 0.80 TSHR (0.80) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL28020064 0.80 TSHR (0.59) TSHRTDP1L3MBTL1MAPK1CYP3A4
Dibutyl Phthalate SCHEMBL27468448 0.79 TSHR (0.78) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL6761423 0.79 TSHR (0.52) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL11618541 0.79 KDM4E (0.68) TSHRTDP1L3MBTL1MAPK1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115818875-A Separation and recovery system and method for Z-N type catalytic filtrate 国家能源集团宁夏煤业有限责任公司 2023-03-21 CN disclosed