SCHEMBL11157125

SCHEMBL11157125

CC(C)n1nc(C(=O)NCC(=O)O)c(=O)c2cc3c(cc21)OCO3

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.52
▸ KDM4E B2RXH2 4/20 0.52
▸ TSHR P16473 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ BLM P54132 1/20 0.52
▸ PMP22 Q01453 1/20 0.52
▸ HSD17B10 Q99714 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ APEX1 P27695 1/20 0.42
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ MPO P05164 1/20 0.38
▸ HTR4 Q13639 6/20 0.37

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
SCHEMBL11143527 0.86 ALDH1A1 (0.48) ALDH1A1KDM4ETSHRLMNABLM
SCHEMBL11148070 0.85 ALDH1A1 (0.55) ALDH1A1KDM4ETSHRLMNABLM
SCHEMBL11150635 0.85 ALDH1A1 (0.66) ALDH1A1KDM4ETSHRLMNABLM
SCHEMBL11149177 0.83 ALDH1A1 (0.75) ALDH1A1KDM4ETSHRLMNABLM
SCHEMBL11144952 0.83 ALDH1A1 (0.53) ALDH1A1KDM4ETSHRLMNABLM
SCHEMBL11144945 0.80 ALDH1A1 (0.60) ALDH1A1KDM4ETSHRLMNABLM
SCHEMBL11143761 0.79 ALDH1A1 (0.55) ALDH1A1KDM4ETSHRLMNABLM
SCHEMBL11146999 0.77 L3MBTL1 (0.46) ALDH1A1LMNACYP1A2KMT2AMEN1
SCHEMBL11148775 0.72 ALDH1A1 (0.52) ALDH1A1KDM4ETSHRLMNABLM
SCHEMBL11148886 0.71 ALDH1A1 (0.51) ALDH1A1KDM4ETSHRLMNABLM

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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