SCHEMBL11149057

SCHEMBL11149057

CCCn1nc(C(=O)NCCO)c(=O)c2cc3c(cc21)OCO3

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.59
▸ KDM4E B2RXH2 2/20 0.59
▸ LMNA P02545 2/20 0.59
▸ TSHR P16473 1/20 0.59
▸ BLM P54132 1/20 0.59
▸ PMP22 Q01453 1/20 0.59
▸ PDE4A P27815 1/20 0.45
▸ PDE4B Q07343 1/20 0.45
▸ PDE4C Q08493 1/20 0.45
▸ PDE4D Q08499 1/20 0.45
▸ HPGD P15428 3/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ APEX1 P27695 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ TMEM97 Q5BJF2 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL11145789 0.94 ALDH1A1 (0.57) ALDH1A1KDM4ELMNATSHRBLM
SCHEMBL11149089 0.91 ALDH1A1 (0.71) ALDH1A1KDM4ELMNATSHRBLM
SCHEMBL11154791 0.91 ALDH1A1 (0.58) ALDH1A1KDM4ELMNATSHRBLM
SCHEMBL11148775 0.87 ALDH1A1 (0.52) ALDH1A1KDM4ELMNATSHRBLM
SCHEMBL11151040 0.85 ALDH1A1 (0.56) ALDH1A1KDM4ELMNATSHRBLM
SCHEMBL11154799 0.84 ALDH1A1 (0.82) ALDH1A1KDM4ELMNATSHRBLM
SCHEMBL11146527 0.84 ALDH1A1 (0.53) ALDH1A1KDM4ELMNATSHRBLM
SCHEMBL11149202 0.82 ALDH1A1 (0.70) ALDH1A1KDM4ELMNATSHRBLM
SCHEMBL11146576 0.82 ALDH1A1 (0.70) ALDH1A1KDM4ELMNATSHRBLM
SCHEMBL11144945 0.81 ALDH1A1 (0.60) 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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