SCHEMBL11068121

SCHEMBL11068121

COc1ccc(C(=O)CCC(=O)N[C@H](C(=O)O)C(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.61
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
CYP3A4 P08684 1/20 0.53
PDE4B Q07343 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
LMNA P02545 3/20 0.51
THRB P10828 1/20 0.51
HDAC8 Q9BY41 2/20 0.50
HDAC1 Q13547 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
TP53 P04637 2/20 0.49
POLB P06746 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 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
SCHEMBL11065663 0.86 MMP1 (0.64) MMP1MEN1KMT2ACYP3A4PDE4B
SCHEMBL11061055 0.84 FNTA (0.53) LMNAHDAC1POLBMAPTSMN1; SMN2
SCHEMBL11068039 0.83 MAPK1 (0.53) MEN1KMT2ACYP3A4LMNANPC1
SCHEMBL11068391 0.83 SDCBP (0.64) MMP1MEN1KMT2ANPSR1HDAC8
SCHEMBL11068495 0.82 SMN1; SMN2 (0.54) MMP1MEN1KMT2ACYP3A4LMNA
SCHEMBL11063891 0.80 MAPK1 (0.50) MEN1KMT2ALMNARAB9ATP53
SCHEMBL16312234 0.80 HTT (0.61) MMP1LMNATHRBNPC1RAB9A
SCHEMBL5838728 0.80 NPSR1 (0.71) MMP1MEN1KMT2ANPSR1LMNA
SCHEMBL7410707 0.80 NPSR1 (0.71) MMP1MEN1KMT2ANPSR1LMNA
SCHEMBL27551854 0.80 MMP1 (0.62) MMP1MEN1KMT2ACYP3A4PDE4B

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-4435329-A ANTIHYPERTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1984-03-06 US disclosed