SCHEMBL8603208

SCHEMBL8603208

Nc1ccc(CCC2CN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CCN2CC(=O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.40
S1PR1 P21453 1/20 0.40
ALDH1A1 P00352 1/20 0.37
FOLH1 Q04609 1/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL19460959 1.00 SIGMAR1 (0.40) SIGMAR1S1PR1ALDH1A1FOLH1LMNA
SCHEMBL8718217 0.93 SIGMAR1 (0.36) SIGMAR1S1PR1ALDH1A1FOLH1LMNA
SCHEMBL15904929 0.87 FOLH1 (0.45) SIGMAR1S1PR1FOLH1
SCHEMBL5864632 0.87 FOLH1 (0.45) SIGMAR1S1PR1FOLH1
SCHEMBL17119211 0.87 FOLH1 (0.45) SIGMAR1S1PR1FOLH1
SCHEMBL1079200 0.87 FOLH1 (0.45) SIGMAR1S1PR1FOLH1
SCHEMBL1996255 0.87 FOLH1 (0.45) SIGMAR1S1PR1FOLH1
Hydrochloric Acid SCHEMBL31226505 0.86 FOLH1 (0.44) SIGMAR1S1PR1FOLH1
SCHEMBL8717979 0.83 KCNJ1 (0.49) SIGMAR1ALDH1A1KDM4E
SCHEMBL436094 0.82 LMNA (0.45) S1PR1FOLH1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5756065-A DIAGNOSTIC CHELATES FOR ANTIBODIES AND RADIOACTIVE MATERIALS THE DOW CHEMICAL COMPANY (US) 1998-05-26 US claimed
US-5756065-A DIAGNOSTIC CHELATES FOR ANTIBODIES AND RADIOACTIVE MATERIALS THE DOW CHEMICAL COMPANY (US) 1998-05-26 US disclosed
US-5739323-A Carboxamide modified polyamine chelators and radioactive complexes thereof for conjugation to antibodies THE DOW CHEMICAL COMPANY (US) 1998-04-14 US disclosed