SCHEMBL7876092

SCHEMBL7876092

NC[C@H](N)CCCCC(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPEP Q07075 5/20 0.67
ALDH1A1 P00352 2/20 0.62
NFKB1 P19838 2/20 0.52
CYP2D6 P10635 1/20 0.52
LMNA P02545 4/20 0.50
BLM P54132 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
THRB P10828 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
PLG P00747 1/20 0.50
ALOX15 P16050 1/20 0.50
SLC6A2 P23975 1/20 0.50
RECQL P46063 1/20 0.50
SLC6A3 Q01959 1/20 0.50
TSHR P16473 2/20 0.48
GABRR3 A8MPY1 1/20 0.48
GABRP O00591 1/20 0.48
GABRD O14764 1/20 0.48
HDAC3 O15379 1/20 0.48

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
SCHEMBL8637959 1.00 ENPEP (0.67) ENPEPALDH1A1NFKB1CYP2D6LMNA
SCHEMBL7864358 1.00 ENPEP (0.67) ENPEPALDH1A1NFKB1CYP2D6LMNA
SCHEMBL7873477 0.98 ALDH1A1 (0.66) ENPEPALDH1A1NFKB1CYP2D6LMNA
SCHEMBL7875995 0.98 ALDH1A1 (0.66) ENPEPALDH1A1NFKB1CYP2D6LMNA
Hydrochloric Acid SCHEMBL10789749 0.96 ALDH1A1 (0.63) ENPEPALDH1A1NFKB1CYP2D6LMNA
SCHEMBL7873463 0.93 ENPEP (0.65) ENPEPALDH1A1NFKB1CYP2D6LMNA
SCHEMBL7871763 0.93 ENPEP (0.65) ENPEPALDH1A1NFKB1CYP2D6LMNA
SCHEMBL4737817 0.93 ENPEP (0.65) ENPEPALDH1A1NFKB1CYP2D6LMNA
Behenic Acid SCHEMBL688508 0.89 ALDH1A1 (0.71) ALDH1A1KMT2AMEN1ALOX15TSHR
SCHEMBL336856 0.88 ALDH1A1 (0.76) ENPEPALDH1A1NFKB1CYP2D6LMNA

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
US-6316652-B1 MITOPLATIN METAL COMPLEXES THAT ARE CISPLATIN DERIVATIVES; ANTITUMOR, ANTICARCINOGENIC, ANTIDIABETIC AND ANTIARTHRITIC AGENTS STELIOU, KOSTA 2001-11-13 US disclosed