SCHEMBL22987335

SCHEMBL22987335

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.46
TSHR P16473 1/20 0.38
CAPN1 P07384 1/20 0.38
BIRC2 Q13490 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
EPHX2 P34913 1/20 0.35
REN P00797 2/20 0.35
FAAH O00519 1/20 0.35

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
SCHEMBL22064142 0.86 CTSS (0.45) RECQLTSHRCAPN1BIRC2ALDH1A1
SCHEMBL17570956 0.83 RECQL (0.39) RECQLTSHRCAPN1BIRC2KMT2A
SCHEMBL17616958 0.83 RECQL (0.39) RECQLTSHRCAPN1BIRC2KMT2A
SCHEMBL19471807 0.82 RECQL (0.69) RECQLTSHRALDH1A1KMT2ALMNA
SCHEMBL20393850 0.80 RECQL (0.53) RECQLBIRC2KMT2AGAAFAAH
SCHEMBL22987342 0.80 RECQL (0.53) RECQLTSHRCAPN1ALDH1A1LMNA
SCHEMBL25122213 0.80 RECQL (0.53) RECQLTSHRCAPN1ALDH1A1LMNA
SCHEMBL17571001 0.79 RECQL (0.65) RECQLTSHRALDH1A1KMT2ALMNA
SCHEMBL22854326 0.79 REN (0.39) RECQLCAPN1KMT2AREN
SCHEMBL29918018 0.77 KMT2A (0.55) CAPN1KMT2A

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