SCHEMBL8843370

SCHEMBL8843370

CN(C)CCCCC(NCc1ccccc1)C(=O)O.[LiH]

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 2/20 0.49
FOLH1 Q04609 2/20 0.46
SIGMAR1 Q99720 1/20 0.44
GGT1 P19440 1/20 0.42
ALDH1A1 P00352 1/20 0.42
UTS2R Q9UKP6 2/20 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
SCHEMBL8843364 0.99 TLR2 (0.50) TLR2FOLH1SIGMAR1GGT1ALDH1A1
Lithium Ion SCHEMBL8843366 0.88 TLR2 (0.46) TLR2FOLH1SIGMAR1ALDH1A1UTS2R
Hydrochloric Acid SCHEMBL8843391 0.86 TLR2 (0.47) TLR2SIGMAR1ALDH1A1UTS2R
SCHEMBL30426128 0.81 TLR2 (0.69) TLR2FOLH1
Hydrochloric Acid SCHEMBL3229765 0.81 TLR2 (0.65) TLR2FOLH1
SCHEMBL25380272 0.81 TLR2 (0.61) TLR2FOLH1GGT1
SCHEMBL8609633 0.80 TLR2 (0.57) TLR2FOLH1SIGMAR1GGT1
SCHEMBL6714094 0.80 TLR2 (0.57) TLR2FOLH1SIGMAR1GGT1
Hydrochloric Acid SCHEMBL8843479 0.80 TLR2 (0.55) TLR2FOLH1GGT1ALDH1A1
SCHEMBL1976380 0.80 TLR2 (0.67) TLR2FOLH1GGT1

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-5672615-A MATRIX-DEGRADING METALLOPROTEINASE INHIBITORS NOVARTIS CORPORATION (US) 1997-09-30 US disclosed