SCHEMBL9199740

SCHEMBL9199740

COc1ccc(OC(=O)Oc2ccc(OC(=O)Oc3ccc(OC)cc3)nc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 3/20 0.43
LIPE Q05469 1/20 0.42
ALDH1A1 P00352 2/20 0.42
F2 P00734 1/20 0.42
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.42
MAPT P10636 1/20 0.42
GAA P10253 2/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
NNMT P40261 1/20 0.41
MEN1 O00255 1/20 0.41
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL8096967 0.86 ACACB (0.42) LMNAKMT2ANNMTMEN1
SCHEMBL1398350 0.81 CES2 (0.58) LMNASMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL27714789 0.79 ALDH1A1 (0.55) LMNASMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL19664385 0.78 KMT2A (0.43) KMT2AALDH1A1MAPTMEN1CA2
SCHEMBL7869465 0.78 ACACB (0.40) LMNAKMT2AALDH1A1F2GLA
SCHEMBL9191894 0.78 TSHR (0.39) KMT2AMAPT
SCHEMBL9519014 0.78 RAB9A (0.49) LMNASMN1; SMN2KMT2AALDH1A1HPGD
SCHEMBL7862661 0.77 KDM4E (0.39) LMNASMN1; SMN2KMT2AALDH1A1MAPT
SCHEMBL9199674 0.75 ACACB (0.39) KMT2AMAPTMEN1
SCHEMBL8065698 0.75 ESR2 (0.58) LMNASMN1; SMN2CYP1A2CYP2C9CYP2C19

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
EP-0278452-B1 2,4- and 2,5-Pyridine-dicarboxylic-acid derivatives, process for their preparation, their use and medicines based on these compounds HOECHST AG (DE) 1995-05-24 EP claimed
EP-0278452-B1 2,4- and 2,5-Pyridine-dicarboxylic-acid derivatives, process for their preparation, their use and medicines based on these compounds HOECHST AG (DE) 1995-05-24 EP disclosed