SCHEMBL22987342

SCHEMBL22987342

COC(=O)CCCCC(=O)NCC(=O)N[C@H](C)C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.53
GAA P10253 1/20 0.44
PSMB5 P28074 3/20 0.39
TSHR P16473 2/20 0.37
CAPN1 P07384 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33

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
SCHEMBL25122213 1.00 RECQL (0.53) RECQLGAAPSMB5TSHRCAPN1
SCHEMBL21418111 0.88 PSMB5 (0.51) RECQLGAAPSMB5CAPN1
SCHEMBL25051421 0.88 RECQL (0.42) RECQLGAAPSMB5CAPN1ALDH1A1
SCHEMBL20436735 0.85 RECQL (0.41) RECQLGAAPSMB5CAPN1NPSR1
SCHEMBL17570956 0.85 RECQL (0.39) RECQLTSHRCAPN1NPSR1HRH3
SCHEMBL17616958 0.85 RECQL (0.39) RECQLTSHRCAPN1NPSR1HRH3
SCHEMBL18914007 0.82 RECQL (0.39) RECQLTSHRCAPN1ALDH1A1LMNA
SCHEMBL22064571 0.82 RECQL (0.48) RECQLGAAPSMB5TSHRCAPN1
SCHEMBL22064576 0.81 RECQL (0.56) RECQLGAAPSMB5TSHRALDH1A1
SCHEMBL18411703 0.81 RECQL (0.56) RECQLGAAPSMB5TSHRALDH1A1

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