SCHEMBL2364158

SCHEMBL2364158

NC(CCCC(=O)O)NC(=O)c1nccs1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSPA9 P38646 1/20 0.42
TBXAS1 P24557 1/20 0.40
PLA2G4A P47712 1/20 0.39
CES1 P23141 1/20 0.39
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GRM5 P41594 7/20 0.36
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 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
SCHEMBL2237622 0.83 HSPA9 (0.46) HSPA9PLA2G4ACES1HDAC3HDAC1
SCHEMBL2364398 0.75 HPGD (0.54) HDAC1ALDH1A1
SCHEMBL2631739 0.73 HDAC1 (0.60) TBXAS1PLA2G4ACES1HDAC3HDAC1
SCHEMBL2364024 0.73 CYP1A2 (0.55) ALDH1A1
SCHEMBL2364022 0.73 KDM4E (0.41) HDAC3HDAC1GRM5
SCHEMBL2364113 0.73 LONP1 (0.46)
SCHEMBL2364467 0.72 P2RX7 (0.54) ALDH1A1GRM5
SCHEMBL2335604 0.72 GABRA5 (0.40) HDAC3HDAC1ALDH1A1
SCHEMBL1769145 0.71 GRIN3B (0.48) HSPA9ALDH1A1
SCHEMBL1769143 0.71 GRIN3B (0.48) HSPA9ALDH1A1

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-2011095218-A1 TEMPLATE-FIXED PEP TIDOMIME TICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2011-08-11 WO disclosed