SCHEMBL4753365

SCHEMBL4753365

CCOC(=O)c1c(-c2ccccc2OC)c(C=O)n(C(=O)OC(C)(C)C)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.43
PTGES O14684 1/20 0.43
CACNB4 O00305 1/20 0.40
CACNA1A O00555 1/20 0.40
CACNA1G O43497 1/20 0.40
CACNG3 O60359 1/20 0.40
CACNA1F O60840 1/20 0.40
CACNA1H O95180 1/20 0.40
ACHE P22303 1/20 0.40
CACNB3 P54284 1/20 0.40
CACNA2D1 P54289 1/20 0.40
CACNG7 P62955 1/20 0.40
CACNA1B Q00975 1/20 0.40
CACNA1D Q01668 1/20 0.40
CACNB1 Q02641 1/20 0.40
CACNG1 Q06432 1/20 0.40
CACNB2 Q08289 1/20 0.40
CACNA1S Q13698 1/20 0.40
CACNA1C Q13936 1/20 0.40
CACNA1E Q15878 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
SCHEMBL4817673 0.71 SMN1; SMN2 (0.56) ALOX5PTGESTDP2NSD2PAX8
SCHEMBL27999385 0.70 L3MBTL1 (0.51) ALDH1A1SMN1; SMN2MAPTHTTLMNA
SCHEMBL16851058 0.68 SMN1; SMN2 (0.63) ALOX5PTGESCACNB4CACNA1ACACNA1G
SCHEMBL4862480 0.68 IGF1R (0.39) ALDH1A1SMN1; SMN2MAPTHTTLMNA
SCHEMBL4202642 0.67 IGF1R (0.53) ALOX5PTGESERN1ALDH1A1LMNA
SCHEMBL16620774 0.67 CHRM2 (0.39) ALDH1A1MAPTHTTKDM4E
SCHEMBL29960126 0.67 ADORA1 (0.47) ALDH1A1MAPTLMNA
SCHEMBL688430 0.66 PRKCZ (0.63) ALDH1A1MAPTLMNAPTPN1HPGD
SCHEMBL4816787 0.65 SMN1; SMN2 (0.53) ALOX5PTGESTDP2NSD2PAX8
SCHEMBL23174287 0.65 L3MBTL1 (0.42) TSHRLMNAATMIGF1R

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
WO-2008145398-A1 4-ARYLPYRROLE SUBSTITUTED 2-INDOLINE DERIVATIVES ACTIVE AS PROTEIN KINASE INHIBITORS PFIZER ITALIA S.R.L. (IT) 2008-12-04 WO disclosed