SCHEMBL6091508

SCHEMBL6091508

CCOC(=O)c1c(-c2ccccc2C)c(-c2ccc(F)cc2)c(C=O)n1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
KDM4E B2RXH2 6/20 0.44
MAPT P10636 5/20 0.44
ALDH1A1 P00352 4/20 0.44
LMNA P02545 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
HPGD P15428 2/20 0.44
HKDC1 Q2TB90 2/20 0.44
ALOX12 P18054 1/20 0.44
CCR6 P51684 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
GAA P10253 1/20 0.40
TP53 P04637 2/20 0.37
HTT P42858 2/20 0.37
CASP3 P42574 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
CYP2C9 P11712 3/20 0.36
SIRT6 Q8N6T7 2/20 0.36

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
SCHEMBL6092472 0.90 KDM4E (0.43) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL5730836 0.90 ALDH1A1 (0.42) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL5731885 0.90 MAPT (0.42) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL6091718 0.86 HMGCR (0.41) KDM4EALDH1A1LMNACYP2C9SIRT6
SCHEMBL6091284 0.81 HMGCR (0.50) HMGCR
SCHEMBL5732032 0.81 MGLL (0.41) KMT2AKDM4EMAPTLMNACYP2C9
SCHEMBL6092648 0.79 KDM4E (0.47) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL6090595 0.75 HMGCR (0.43) KDM4EALDH1A1LMNACYP2C9SIRT6
SCHEMBL5731420 0.75 HMGCR (0.45) KDM4EALDH1A1LMNACYP2C9SIRT6
SCHEMBL5731592 0.73 HMGCR (0.43) KDM4EALDH1A1LMNACYP2C9SIRT6

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-2006059210-A2 FUSED BICYCLIC PYRROLS AS HMG-COA REDUCTASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2006-06-08 WO disclosed