SCHEMBL11148775

SCHEMBL11148775

Cn1nc(C(=O)NCCO)c(=O)c2cc3c(cc21)OCO3

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ LMNA P02545 2/20 0.52
▸ TSHR P16473 2/20 0.52
▸ BLM P54132 1/20 0.52
▸ PMP22 Q01453 1/20 0.52
▸ PDE4A P27815 1/20 0.46
▸ PDE4B Q07343 1/20 0.46
▸ PDE4C Q08493 1/20 0.46
▸ PDE4D Q08499 1/20 0.46
▸ TDP1 Q9NUW8 2/20 0.44
▸ HPGD P15428 5/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ APEX1 P27695 1/20 0.42
▸ POLB P06746 1/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ CA12 O43570 1/20 0.39

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
SCHEMBL11148886 0.90 ALDH1A1 (0.51) ALDH1A1KDM4ELMNATSHRBLM
SCHEMBL11149057 0.87 ALDH1A1 (0.59) ALDH1A1KDM4ELMNATSHRBLM
SCHEMBL11149089 0.86 ALDH1A1 (0.71) ALDH1A1KDM4ELMNATSHRBLM
SCHEMBL11148070 0.86 ALDH1A1 (0.55) ALDH1A1KDM4ELMNATSHRBLM
SCHEMBL11145789 0.85 ALDH1A1 (0.57) ALDH1A1KDM4ELMNATSHRBLM
SCHEMBL11146527 0.81 ALDH1A1 (0.53) ALDH1A1KDM4ELMNATSHRBLM
SCHEMBL11145796 0.81 ALDH1A1 (0.56) ALDH1A1KDM4ELMNATSHRBLM
SCHEMBL11156978 0.81 ALDH1A1 (0.70) ALDH1A1KDM4ELMNATSHRBLM
SCHEMBL11152267 0.81 LMNA (0.41) ALDH1A1KDM4ELMNATDP1HSD17B10
SCHEMBL11154791 0.77 ALDH1A1 (0.58) ALDH1A1KDM4ELMNATSHRBLM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4379929-A BACTERIOSTATS ELI LILLY AND COMPANY (US) 1983-04-12 — — US claimed
US-4379929-A BACTERIOSTATS ELI LILLY AND COMPANY (US) 1983-04-12 — — US disclosed
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