SCHEMBL9767643

SCHEMBL9767643

CCCN[C@@H](CC(C)C)CN(Cc1ccccc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
SIGMAR1 Q99720 1/20 0.44
MMP1 P03956 3/20 0.43
MMP3 P08254 3/20 0.43
PTGES O14684 3/20 0.43
MMP8 P22894 2/20 0.43
MMP2 P08253 1/20 0.43
MMP7 P09237 1/20 0.43
MMP9 P14780 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PKM P14618 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
REN P00797 1/20 0.40

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
Hydrochloric Acid SCHEMBL9767669 0.99 LMNA (0.43) LMNASIGMAR1MMP1MMP3PTGES
SCHEMBL9767585 0.76 GPR88 (0.51) LMNAMMP1MMP3PTGESMEN1
SCHEMBL6998369 0.73 LMNA (0.53) LMNAPTGESMEN1KMT2AALDH1A1
SCHEMBL7996489 0.71 LMNA (0.51) LMNASIGMAR1PTGESMEN1KMT2A
SCHEMBL7534139 0.70 LMNA (0.50) LMNAPTGESMEN1KMT2AALDH1A1
SCHEMBL574486 0.69 LMNA (0.61) LMNAMEN1KMT2AALDH1A1NPSR1
SCHEMBL1195514 0.69 LMNA (0.78) LMNAMEN1KMT2AALDH1A1NPSR1
Hydrochloric Acid SCHEMBL18342101 0.68 LMNA (0.51) LMNAMEN1KMT2AALDH1A1NPSR1
Hydrochloric Acid SCHEMBL18342320 0.68 LMNA (0.51) LMNAMEN1KMT2AALDH1A1NPSR1
Hydrochloric Acid SCHEMBL18342102 0.68 LMNA (0.51) LMNAMEN1KMT2AALDH1A1NPSR1

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-5019647-A Antigrowth and anticarconogenic hexapeptide MERCK & CO., INC. (US) 1991-05-28 US disclosed