SCHEMBL11240360

SCHEMBL11240360

CC(=O)N(C1CCC(N(C(C)=O)N2CCCC2=O)CC1)N1CCCC1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.36
BRD2 P25440 1/20 0.36
LMNA P02545 2/20 0.35
TSHR P16473 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31

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
SCHEMBL9203583 0.80 KDM4E (0.33) KMT2AGAA
SCHEMBL11242674 0.73 LMNA (0.40) BRD4BRD2LMNATSHRCA12
SCHEMBL6047009 0.72
SCHEMBL9587421 0.70 LMNA (0.38) BRD4BRD2LMNATSHRCA12
SCHEMBL11245719 0.69 LMNA (0.37) BRD4BRD2LMNATSHRCA12
SCHEMBL9628933 0.68 TSHR (0.45) BRD4BRD2LMNATSHRCA12
SCHEMBL11514638 0.67 LMNA (0.43) BRD4BRD2LMNATSHRCA12
SCHEMBL22635867 0.66 BRD4 (0.41) BRD4BRD2LMNATSHRALDH1A1
SCHEMBL11512589 0.66 KMT2A (0.39) BRD4BRD2LMNATSHRCA12
SCHEMBL11243325 0.66 GAA (0.38) BRD4BRD2LMNAKMT2AALDH1A1

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
US-4324787-A 2-Oxo-1-pyrrolidineacetic acid compounds and their medicinal use TROPONWERKE GMBH & CO., KG (DE) 1982-04-13 US disclosed