SCHEMBL22064576

SCHEMBL22064576

COC(=O)CCCCC(=O)NCC(=O)NC(C)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.56
FAAH O00519 5/20 0.47
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
SLC6A5 Q9Y345 1/20 0.43
PSMB5 P28074 2/20 0.43
GAA P10253 1/20 0.42
TSHR P16473 2/20 0.42
MAPT P10636 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 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
SCHEMBL18411703 1.00 RECQL (0.56) RECQLFAAHALDH1A1LMNASMN1; SMN2
SCHEMBL25052996 0.85 FAAH (0.50) RECQLFAAHALDH1A1SMN1; SMN2SLC6A5
SCHEMBL25052762 0.84 FAAH (0.64) RECQLFAAHALDH1A1SMN1; SMN2SLC6A5
SCHEMBL31164830 0.83 FAAH (0.48) RECQLFAAHALDH1A1LMNASMN1; SMN2
SCHEMBL20503295 0.83 FAAH (0.67) FAAHSMN1; SMN2SLC6A5PSMB5MEN1
SCHEMBL2370383 0.83 FAAH (0.67) FAAHSMN1; SMN2SLC6A5PSMB5MEN1
SCHEMBL9829935 0.83 FAAH (0.67) FAAHSMN1; SMN2SLC6A5PSMB5MEN1
SCHEMBL2370661 0.83 FAAH (0.67) FAAHSMN1; SMN2SLC6A5PSMB5MEN1
SCHEMBL9829925 0.83 FAAH (0.67) FAAHSMN1; SMN2SLC6A5PSMB5MEN1
SCHEMBL27970567 0.83 FAAH (0.67) FAAHSMN1; SMN2SLC6A5PSMB5MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4163284-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES ImmunoGen, Inc. (US) 2023-04-12 EP disclosed
EP-3313884-B9 ANTI-CD123 ANTIBODIES AND CONJUGATES AND DERIVATIVES THEREOF IMMUNOGEN INC (US) 2021-05-19 EP disclosed
EP-3778602-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES ImmunoGen, Inc. (US) 2021-02-17 EP disclosed
EP-3189056-B1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN INC (US) 2020-06-10 EP disclosed