SCHEMBL21976090

SCHEMBL21976090

C=CCC1(OC(C)=O)CCNCC1

nearest known ligand 0.30

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL164257 0.82 MEN1 (0.40) KMT2AMEN1ALDH1A1POLB
SCHEMBL18087303 0.81 MEN1 (0.31) KMT2AMEN1ALDH1A1POLB
SCHEMBL14514434 0.72 TP53 (0.36) KMT2AKDM4EALDH1A1
SCHEMBL7405510 0.71 KDM4E (0.41) KMT2AKDM4E
SCHEMBL16049737 0.70 USP2 (0.41) KDM4E
SCHEMBL11869684 0.69
SCHEMBL7429095 0.69 KMT2A (0.33) KMT2AKDM4EMEN1ALDH1A1POLB
SCHEMBL1273304 0.69 OPRM1 (0.36) KMT2AKDM4E
SCHEMBL27694594 0.69 LMNA (0.32)
SCHEMBL15526050 0.68 TSHR (0.34) ALDH1A1

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
EP-2970189-B1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS INC (US) 2020-05-06 EP disclosed