SCHEMBL22064571

SCHEMBL22064571

C=C[C@@H](NC(=O)CNC(=O)CCCCC(=O)OC)C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.48
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.40
TSHR P16473 3/20 0.33
PSMB5 P28074 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CAPN1 P07384 1/20 0.32
EPHX2 P34913 1/20 0.32
FAAH O00519 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL22987342 0.82 RECQL (0.53) RECQLALDH1A1LMNAGAATSHR
SCHEMBL25122213 0.82 RECQL (0.53) RECQLALDH1A1LMNAGAATSHR
SCHEMBL22987392 0.80 ALDH1A1 (0.38) RECQLALDH1A1LMNATSHRCAPN1
SCHEMBL17571001 0.77 RECQL (0.65) RECQLALDH1A1LMNAGAATSHR
SCHEMBL19471807 0.77 RECQL (0.69) RECQLALDH1A1LMNAGAATSHR
SCHEMBL1121020 0.73 CA12 (0.40) RECQLALDH1A1LMNASMN1; SMN2
SCHEMBL25051421 0.73 RECQL (0.42) RECQLALDH1A1GAAPSMB5CAPN1
SCHEMBL20436735 0.71 RECQL (0.41) RECQLGAAPSMB5SMN1; SMN2CAPN1
SCHEMBL21418111 0.70 PSMB5 (0.51) RECQLGAAPSMB5SMN1; SMN2CAPN1
SCHEMBL21446918 0.70 MEN1 (0.44) ALDH1A1GAATSHRMEN1KMT2A

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-3189056-B1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN INC (US) 2020-06-10 EP disclosed