SCHEMBL28080608

SCHEMBL28080608

O=C(OOc1ccccc1C(=O)O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.57
F2 P00734 1/20 0.57
ALDH1A1 P00352 8/20 0.50
KDM4E B2RXH2 7/20 0.50
HSD17B10 Q99714 7/20 0.50
HPGD P15428 5/20 0.50
TSHR P16473 3/20 0.50
ESR1 P03372 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
HMGB1 P09429 1/20 0.50
GGT1 P19440 1/20 0.50
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
BLM P54132 1/20 0.50
NAPRT Q6XQN6 1/20 0.50
ESR2 Q92731 1/20 0.50
MAPT P10636 2/20 0.49
CYP1A2 P05177 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
SCHEMBL29611759 0.86 LMNA (0.70) LMNAF2ALDH1A1HSD17B10TSHR
SCHEMBL28263595 0.84 HTT (0.59) LMNAALDH1A1KDM4EHSD17B10HPGD
Benzoyl Peroxide SCHEMBL30511565 0.82 F2 (0.77) LMNAF2ALDH1A1KDM4EHSD17B10
SCHEMBL29010714 0.82 KDM4E (0.63) LMNAALDH1A1KDM4EHSD17B10HPGD
SCHEMBL30505635 0.81 SLC6A3 (0.71) LMNAALDH1A1KDM4EHSD17B10HPGD
SCHEMBL1979275 0.81 SLC6A3 (0.71) LMNAALDH1A1KDM4EHSD17B10HPGD
SCHEMBL27709076 0.80 HTT (0.58) LMNAF2ALDH1A1KDM4EHSD17B10
SCHEMBL11696928 0.79 KDM4E (0.67) LMNAALDH1A1KDM4EHSD17B10HPGD
SCHEMBL8777320 0.79 SLC6A3 (0.69) LMNAALDH1A1KDM4EHSD17B10HPGD
SCHEMBL31087893 0.79 HTT (0.43) LMNAF2ALDH1A1KDM4EHSD17B10

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
CN-109021018-A A kind of multicore manganese complex and preparation method thereof and the adjustment effect that kaffir lily seed is sprouted 陕西理工大学 2018-12-18 CN disclosed
CN-105859798-B Co 3,5 2 (2 carboxyphenoxy) phenylformic acid complex and preparation method thereof and the application in soybean growth regulating 陕西理工学院 2018-01-12 CN disclosed
CN-105859798-B Co 3,5 2 (2 carboxyphenoxy) phenylformic acid complex and preparation method thereof and the application in soybean growth regulating 陕西理工学院 2018-01-12 CN disclosed
CN-105859798-A Co-3,5-di(2-carboxyl phenoxy)benzoate complex and preparation method thereof and application in soybean growth regulation 陕西理工学院 2016-08-17 CN disclosed