SCHEMBL22987362

SCHEMBL22987362

C[C@H](NCCNC(=O)OCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
SYK P43405 1/20 0.53
MAPT P10636 2/20 0.52
HTT P42858 1/20 0.51
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
ABCB1 P08183 1/20 0.47
SLC1A3 P43003 1/20 0.46
SLC1A1 P43005 1/20 0.46
IDO1 P14902 1/20 0.46
TGM2 P21980 1/20 0.46
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 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
SCHEMBL6514567 0.90 SYK (0.56) LMNASMN1; SMN2SYKMAPTHTT
SCHEMBL6514568 0.90 SYK (0.56) LMNASMN1; SMN2SYKMAPTHTT
Hydrochloric Acid SCHEMBL6512895 0.89 SYK (0.55) LMNASMN1; SMN2SYKMAPTHTT
Hydrochloric Acid SCHEMBL6512903 0.89 SYK (0.55) LMNASMN1; SMN2SYKMAPTHTT
SCHEMBL28650274 0.88 LMNA (0.51) LMNASMN1; SMN2SYKMAPTHTT
SCHEMBL12347932 0.88 LMNA (0.51) LMNASMN1; SMN2SYKMAPTHTT
SCHEMBL28221516 0.87 LMNA (0.58) LMNASMN1; SMN2MAPTHTTL3MBTL1
SCHEMBL28221005 0.87 LMNA (0.58) LMNASMN1; SMN2MAPTHTTL3MBTL1
SCHEMBL28221007 0.87 LMNA (0.58) LMNASMN1; SMN2MAPTHTTL3MBTL1
SCHEMBL2438788 0.86 LMNA (0.52) LMNASMN1; SMN2SYKMAPTHTT

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