SCHEMBL6161724

SCHEMBL6161724

CC(C)(C)OC(=O)N1CCC(C(=O)NC(Cc2ccc3ccccc3c2)C(=O)N2Cc3ccc(C(=O)O)cc3C2)CC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.50
KMT2A Q03164 4/20 0.49
CAPN1 P07384 3/20 0.48
CTSB P07858 2/20 0.48
YAP1 P46937 3/20 0.45
STS P08842 1/20 0.43
CACNA1B Q00975 1/20 0.43
PABPC1 P11940 1/20 0.43
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL6161717 1.00 MAPK1 (0.50) MAPK1KMT2ACAPN1CTSBYAP1
SCHEMBL6163821 0.92 MAPK1 (0.48) MAPK1KMT2ACAPN1CTSBYAP1
SCHEMBL6162910 0.91 MAPK1 (0.48) MAPK1KMT2ACAPN1CTSBYAP1
SCHEMBL6166209 0.90 MAPK1 (0.49) MAPK1KMT2ACAPN1CTSBYAP1
SCHEMBL6166213 0.90 MAPK1 (0.49) MAPK1KMT2ACAPN1CTSBYAP1
SCHEMBL6168374 0.87 MAPK1 (0.51) MAPK1KMT2ACAPN1CTSBYAP1
SCHEMBL6168383 0.87 MAPK1 (0.51) MAPK1KMT2ACAPN1CTSBYAP1
SCHEMBL6162909 0.84 MAPK1 (0.62) MAPK1KMT2ACAPN1CTSBYAP1
SCHEMBL6162914 0.84 MAPK1 (0.62) MAPK1KMT2ACAPN1CTSBYAP1
SCHEMBL6161443 0.84 P2RX7 (0.47) MAPK1KMT2ASTSALDH1A1MEN1

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
EP-0828754-B1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER (US) 2005-02-02 EP disclosed