SCHEMBL9731199

SCHEMBL9731199

CCN(CC)CCN(CCN(CC)CC)C(=O)c1cc(C(=O)O)ncn1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMO O15229 12/20 0.37
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL9731204 0.94 ALDH1A1 (0.44) ALDH1A1MAPTL3MBTL1
SCHEMBL6480080 0.85 ALDH1A1 (0.53) ALDH1A1MAPTL3MBTL1KMOKDM4E
SCHEMBL9730983 0.81 HCAR2 (0.41) ALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL9731016 0.79 HCAR2 (0.40) ALDH1A1KMOKDM4E
SCHEMBL6480081 0.78 ALDH1A1 (0.59) ALDH1A1MAPTL3MBTL1
SCHEMBL9731397 0.78 NTRK2 (0.41) KMO
SCHEMBL9731176 0.77 HCAR2 (0.38) KMO
SCHEMBL9730987 0.73 MAOA (0.43) ALDH1A1MAPTL3MBTL1
SCHEMBL5353274 0.72 TP53 (0.42) ALDH1A1MAPTL3MBTL1
SCHEMBL71141 0.72 KMO (0.59) ALDH1A1MAPTKMOKDM4E

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-5130317-A Immunosuppressants and fibrosuppressants for metabolism of collagen HOECHST AKTIENGESELLSCHAFT (DE) 1992-07-14 US disclosed