SCHEMBL18922315

SCHEMBL18922315

CC(C)[C@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ECE1 P42892 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ NOD1 Q9Y239 1/20 0.45
▸ FOLH1 Q04609 6/20 0.44
▸ CA2 P00918 4/20 0.43
▸ CA1 P00915 3/20 0.43
▸ NAALAD2 Q9Y3Q0 2/20 0.43
▸ RIMKLA Q8IXN7 1/20 0.43
▸ BMP1 P13497 1/20 0.43
▸ DPP4 P27487 1/20 0.41
▸ DPP8 Q6V1X1 1/20 0.41
▸ DPP9 Q86TI2 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ ACE P12821 1/20 0.40
▸ PRSS1 P07477 1/20 0.39
▸ TMPRSS15 P98073 1/20 0.39

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
SCHEMBL15822646 0.86 KMT2A (0.48) ECE1KMT2ANOD1FOLH1CA2
SCHEMBL15822647 0.86 KMT2A (0.48) ECE1KMT2ANOD1FOLH1CA2
SCHEMBL27396231 0.85 NOD1 (0.47) ECE1KMT2ANOD1FOLH1CA2
SCHEMBL8430995 0.85 NOD1 (0.47) ECE1KMT2ANOD1FOLH1CA2
SCHEMBL27396227 0.85 NOD1 (0.47) ECE1KMT2ANOD1FOLH1CA2
SCHEMBL8429139 0.85 NOD1 (0.47) ECE1KMT2ANOD1FOLH1CA2
SCHEMBL6600219 0.85 NOD1 (0.47) ECE1KMT2ANOD1FOLH1CA2
SCHEMBL2492939 0.85 NOD1 (0.47) ECE1KMT2ANOD1FOLH1CA2
SCHEMBL4221433 0.85 NOD1 (0.47) ECE1KMT2ANOD1FOLH1CA2
Alanyl Glutamine SCHEMBL4274839 0.84 NOD1 (0.59) ECE1KMT2ANOD1FOLH1CA2

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-9669106-B2 Conjugate of monomethyl auristatin F and trastuzumab and its use for the treatment of cancer PIERRE FABRE MEDICAMENT (FR) 2017-06-06 — — US disclosed
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