SCHEMBL13397607

SCHEMBL13397607

COC(=O)COc1ccccc1Oc1cc(NC(C)=O)c(F)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.47
ACLY P53396 2/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
ESRRA P11474 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
MAPK10 P53779 1/20 0.40
DHODH Q02127 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL3248025 0.90 TDP1 (0.44) LMNAGAAL3MBTL1KDM4EPOLB
SCHEMBL13841331 0.87 GAA (0.41) LMNAGAAL3MBTL1KDM4EPOLB
SCHEMBL3955026 0.86 ATM (0.42) LMNAKDM4ECYP1A2CYP2C19MAPT
SCHEMBL13842890 0.84 ALDH1A1 (0.41) LMNAACLYL3MBTL1KDM4ECYP1A2
SCHEMBL13397203 0.83 ALDH1A1 (0.46) GAAL3MBTL1KDM4EPOLBSMN1; SMN2
SCHEMBL13841333 0.83 LMNA (0.50) LMNAACLYGAAKDM4ESMN1; SMN2
SCHEMBL14639530 0.83 NPC1 (0.43) LMNAL3MBTL1KDM4EPOLBESRRA
SCHEMBL7577594 0.82 ESRRA (0.44) LMNAGAAL3MBTL1KDM4EPOLB
SCHEMBL6245689 0.82 SMN1; SMN2 (0.46) LMNAL3MBTL1KDM4EPOLBCYP1A2
SCHEMBL6244635 0.81 ESRRA (0.44) L3MBTL1KDM4EPOLBESRRASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1736052-B1 Stem/leaf desiccant SUMITOMO CHEMICAL CO (JP) 2010-04-21 EP disclosed
US-7538072-B2 Stem/leaf desiccant SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-26 US disclosed
US-7538072-B2 Stem/leaf desiccant SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-26 US disclosed