SCHEMBL22987343

SCHEMBL22987343

COC(=O)CCCCC(=O)NCC(=O)NCC(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.66
TSHR P16473 3/20 0.53
FAAH O00519 6/20 0.49
GAA P10253 1/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
PTPN1 P18031 1/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.45
USP2 O75604 1/20 0.45
POLB P06746 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
APEX1 P27695 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
GPR18 Q14330 1/20 0.45

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
SCHEMBL17570950 1.00 RECQL (0.66) RECQLTSHRFAAHGAAMEN1
SCHEMBL31336136 0.87 RECQL (0.81) RECQLTSHRFAAHGAAMEN1
SCHEMBL30838573 0.87 RECQL (0.81) RECQLTSHRFAAHGAAMEN1
SCHEMBL30838583 0.87 RECQL (0.81) RECQLTSHRFAAHGAAMEN1
SCHEMBL30838584 0.87 RECQL (0.81) RECQLTSHRFAAHGAAMEN1
SCHEMBL25908042 0.85 RECQL (0.66) RECQLTSHRFAAHGAAMEN1
SCHEMBL13286460 0.84 RECQL (0.57) RECQLTSHRFAAHGAAMEN1
SCHEMBL22064151 0.84 RECQL (0.63) RECQLTSHRFAAHGAAMEN1
SCHEMBL8466257 0.82 ALDH1A1 (0.58) RECQLTSHRFAAHGAAMEN1
SCHEMBL24753945 0.82 PTPN1 (0.52) RECQLTSHRFAAHGAAMEN1

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-3778601-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES ImmunoGen, Inc. (US) 2021-02-17 EP disclosed