SCHEMBL27890385

SCHEMBL27890385

O=C(COc1ccc(Cl)cc1)OC(=O)COc1ccc(Cl)cc1.[NaH].[NaH]

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.58
▸ CYP1A2 P05177 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ BLM P54132 1/20 0.55
▸ PMP22 Q01453 1/20 0.55
▸ POLB P06746 2/20 0.53
▸ ATF4 P18848 4/20 0.51
▸ MAPT P10636 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ KMT2A Q03164 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
SCHEMBL3913180 0.98 PTGS2 (0.60) PTGS2CYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL8343122 0.91 L3MBTL1 (0.60) PTGS2CYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL3913184 0.87 PTGS2 (0.58) PTGS2CYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL7068289 0.84 LMNA (0.59) PTGS2CYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL27410860 0.84 TDP1 (0.62) SMN1; SMN2MAPTHPGDRAB9ANPSR1
SCHEMBL29240035 0.82 PTGS2 (0.57) PTGS2CYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL11562520 0.82 PTGS2 (0.57) PTGS2CYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL5120243 0.82 PTGS2 (0.81) PTGS2CYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL27313420 0.82 ALOX15 (0.63) SMN1; SMN2POLBATF4MAPTHPGD
SCHEMBL11440981 0.81 MAPT (0.60) PTGS2CYP1A2CYP3A4CYP2C19SMN1; SMN2

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-102701867-A Preparation for improving fruit setting rate of tomato and preparation method of preparation XIANGMING ZHANG 2012-10-03 — — CN disclosed
Send feedback