SCHEMBL15764804

SCHEMBL15764804

NC(=O)CCNC(=O)CC[C@H](NS)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 2/20 0.36
ALOX15 P16050 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
MMP2 P08253 9/20 0.36
MMP9 P14780 9/20 0.36
MMP8 P22894 5/20 0.36
MMP12 P39900 5/20 0.36
MMP14 P50281 5/20 0.36
NOD1 Q9Y239 3/20 0.35
FOLH1 Q04609 2/20 0.34
RIMKLA Q8IXN7 1/20 0.34
NAALAD2 Q9Y3Q0 1/20 0.34
CA2 P00918 2/20 0.34
CA1 P00915 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
SCHEMBL15764781 0.82 FOLH1 (0.44) ALDH1A1FOLH1RIMKLANAALAD2
SCHEMBL25357016 0.77 ALOX15 (0.64) ALDH1A1KMT2AALOX15BLMPMP22
SCHEMBL25357021 0.77 ALOX15 (0.64) ALDH1A1KMT2AALOX15BLMPMP22
SCHEMBL29300242 0.75 FOLH1 (0.40) ALDH1A1MMP2MMP9MMP8MMP12
SCHEMBL28525595 0.73 KMT2A (0.40) KMT2AALOX15BLMPMP22MMP2
SCHEMBL30962435 0.72 FOLH1 (0.61) FOLH1RIMKLANAALAD2
SCHEMBL12964947 0.71 ALB (0.55) NOD1FOLH1
SCHEMBL149082 0.71 KMT2A (0.48) KMT2AALOX15BLMPMP22MMP2
SCHEMBL29021876 0.70 FOLH1 (0.56) ALOX15BLMNOD1FOLH1RIMKLA
SCHEMBL28089215 0.70 C3AR1 (0.47) KMT2ANOD1FOLH1

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
WO-2014085575-A1 METHODS FOR TREATING CANCER USING COMBINATION THERAPIES ENDOCYTE, INC. (US) 2014-06-05 WO disclosed