SCHEMBL9039784

SCHEMBL9039784

CC(C)(C)OC(=O)Oc1ccccc1-c1ccc(Cn2c(Cl)nc3ccccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.46
AGTR1 P30556 1/20 0.45
AGTR2 P50052 1/20 0.45
TBXA2R P21731 3/20 0.45
DRD2 P14416 2/20 0.45
NOD1 Q9Y239 1/20 0.44
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MMP3 P08254 1/20 0.42
MMP7 P09237 1/20 0.42
MMP10 P09238 1/20 0.42
MMP8 P22894 1/20 0.42
MMP12 P39900 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CNR2 P34972 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL9042213 0.91 PPARG (0.47) PPARGAGTR1AGTR2TBXA2RDRD2
SCHEMBL9040419 0.90 HDAC1 (0.52) PPARGAGTR1AGTR2TBXA2RDRD2
SCHEMBL9041469 0.89 PPARG (0.52) PPARGAGTR1AGTR2TBXA2RSMN1; SMN2
SCHEMBL9043352 0.88 RAB9A (0.55) PPARGAGTR1AGTR2TBXA2RLMNA
SCHEMBL9043441 0.88 TP53 (0.56) PPARGAGTR2TBXA2RDRD2LMNA
SCHEMBL9040518 0.87 MMP7 (0.53) PPARGAGTR1AGTR2TBXA2RDRD2
SCHEMBL9042214 0.87 HDAC1 (0.54) PPARGAGTR1AGTR2LMNAMMP3
SCHEMBL9043476 0.86 PPARG (0.65) PPARGAGTR1AGTR2
SCHEMBL9042758 0.86 POLB (0.59) PPARGAGTR1AGTR2TBXA2RLMNA
SCHEMBL9041081 0.86 ALDH1A1 (0.51) PPARGAGTR2TBXA2RDRD2LMNA

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-0392317-B1 Benzimidazoles, drugs containing these compounds and process for their preparation THOMAE GMBH DR K (DE) 1996-01-03 EP disclosed
EP-0392317-A2 Benzimidazoles, drugs containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1990-10-17 EP disclosed