SCHEMBL4032761

SCHEMBL4032761

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
KMT2A Q03164 1/20 0.44
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB1 P18505 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34
GABRB2 P47870 2/20 0.34
GABRA4 P48169 2/20 0.34
GABRE P78334 2/20 0.34
GABRA6 Q16445 2/20 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
SCHEMBL1692053 0.89 ALOX15 (0.52) ALOX15BLMPMP22KMT2ADPP4
SCHEMBL1692048 0.89 ALOX15 (0.52) ALOX15BLMPMP22KMT2ADPP4
SCHEMBL4170262 0.85 ALOX15 (0.45) ALOX15BLMPMP22KMT2A
SCHEMBL156958 0.84 ALOX15 (0.47) ALOX15BLMPMP22KMT2ADPP4
SCHEMBL30360527 0.84 ALOX15 (0.52) ALOX15BLMPMP22KMT2ADPP4
SCHEMBL11133657 0.82 ALOX15 (0.42) ALOX15BLMPMP22KMT2AGRM8
SCHEMBL28501210 0.80 KMT2A (0.40) ALOX15BLMPMP22KMT2ADPP4
SCHEMBL11211657 0.80 KMT2A (0.40) ALOX15BLMPMP22KMT2ADPP4
SCHEMBL28330169 0.80 ALOX15 (0.38) ALOX15BLMPMP22KMT2AGRIK1
SCHEMBL18613506 0.80 SLC7A5 (0.41) SLC1A3SLC1A2SLC1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1592436-A4 COMPOUNDS THAT BIND P2Y sb 2 /sb OR P2Y sb 1 /sb RECEPTORS KIMBERLY CLARK CO (US) 2009-09-02 EP disclosed
EP-1592436-A2 COMPOUNDS THAT BIND P2Y sb 2 /sb OR P2Y sb 1 /sb RECEPTORS Kimberly-Clark Worldwide, Inc. (US) 2005-11-09 EP disclosed
WO-2004060907-A2 COMPOUNDS THAT BIND P2Y2 OR P2Y1 RECEPTORS KIMBERLY-CLARK WORLDWIDE, INC. (US) 2004-07-22 WO disclosed