SCHEMBL14740657

SCHEMBL14740657

C[C@@H](NC(=O)c1ccnc2ccccc12)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PREP P48147 5/20 0.57
FAP Q12884 4/20 0.57
CCR1 P32246 1/20 0.51
CTSB P07858 2/20 0.50
NSD2 O96028 1/20 0.49
KDM4C Q9H3R0 1/20 0.48
CTSV O60911 1/20 0.47
CTSL P07711 1/20 0.47
CTSS P25774 1/20 0.47
BBOX1 O75936 2/20 0.47
EGLN1 Q9GZT9 2/20 0.47
FTO Q9C0B1 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TACR3 P29371 1/20 0.46
NTSR1 P30989 1/20 0.46

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
SCHEMBL18457263 0.89 PREP (0.57) PREPFAPCCR1CTSBNSD2
SCHEMBL18416081 0.87 PREP (0.56) PREPFAPCCR1CTSBNSD2
SCHEMBL10118999 0.87 CTSB (0.67) PREPFAPCCR1CTSBNSD2
SCHEMBL18457261 0.85 PREP (0.54) PREPFAPCCR1CTSBNSD2
SCHEMBL14316520 0.81 PREP (0.46) PREPFAPCCR1CTSBCTSV
SCHEMBL18416076 0.80 PREP (0.57) PREPFAPCCR1MEN1KMT2A
SCHEMBL18457550 0.80 TACR3 (0.65) PREPFAPMEN1KMT2ATACR3
SCHEMBL22345511 0.79 CCR1 (0.53) CCR1BBOX1EGLN1FTOMEN1
SCHEMBL22345508 0.79 CCR1 (0.53) CCR1BBOX1EGLN1FTOMEN1
Iodide SCHEMBL22345354 0.79 BBOX1 (0.43) PREPFAPKDM4CBBOX1EGLN1

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-2013033396-A2 FAP-ACTIVATED PROTEASOME INHIBITORS FOR TREATING SOLID TUMORS TRUSTEES OF TUFTS COLLEGE (US) 2013-03-07 WO disclosed