SCHEMBL10857421

SCHEMBL10857421

CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCCBr)cc1

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.76
KDM7A Q6ZMT4 1/20 0.76
SIRT3 Q9NTG7 13/20 0.72
NR1H4 Q96RI1 1/20 0.70
EYA3 Q99504 2/20 0.68
PTPN1 P18031 1/20 0.68
TTR P02766 1/20 0.60

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
SCHEMBL10672374 0.96 KDM5A (0.76) KDM5AKDM7ASIRT3NR1H4EYA3
SCHEMBL10851171 0.94 KDM7A (0.68) KDM5AKDM7ASIRT3NR1H4EYA3
SCHEMBL25389194 0.94 KDM5A (0.84) KDM5AKDM7ASIRT3NR1H4EYA3
SCHEMBL10855684 0.90 SLC22A12 (0.64) KDM5AKDM7ASIRT3NR1H4EYA3
SCHEMBL9487346 0.89 KDM5A (0.73) KDM5AKDM7ASIRT3NR1H4
SCHEMBL10855283 0.89 KDM5A (0.66) KDM5AKDM7ASIRT3NR1H4EYA3
SCHEMBL8509096 0.89 SIRT3 (0.73) KDM5AKDM7ASIRT3NR1H4EYA3
SCHEMBL25388865 0.87 KDM5A (0.73) KDM5AKDM7ASIRT3NR1H4EYA3
SCHEMBL5221622 0.86 NR1H4 (0.61) KDM5AKDM7ANR1H4
SCHEMBL5224422 0.86 NR1H4 (0.61) KDM5AKDM7ASIRT3NR1H4

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
US-4565828-A CARDIOVASCULAR DISORDERS, ANTAGONIST OF CALCIUM SANOFI (FR) 1986-01-21 US disclosed