SCHEMBL11065663

SCHEMBL11065663

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

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.64
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
CYP3A4 P08684 1/20 0.55
PDE4B Q07343 1/20 0.54
LMNA P02545 3/20 0.53
THRB P10828 1/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC1 Q13547 2/20 0.52
MAPT P10636 1/20 0.51
TP53 P04637 2/20 0.51
POLB P06746 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL11068121 0.86 MMP1 (0.61) MMP1MEN1KMT2ACYP3A4PDE4B
SCHEMBL11068586 0.83 ALDH1A1 (0.53) MEN1KMT2ACYP3A4LMNAHDAC8
SCHEMBL11072396 0.82 KMT2A (0.51) MEN1KMT2ACYP3A4LMNANPC1
SCHEMBL27551854 0.82 MMP1 (0.62) MMP1MEN1KMT2ACYP3A4PDE4B
SCHEMBL11067559 0.81 SMN1; SMN2 (0.57) MEN1KMT2ACYP3A4LMNANPC1
SCHEMBL16552644 0.79 MMP1 (0.76) MMP1MEN1KMT2APDE4BLMNA
SCHEMBL11068248 0.79 FPR2 (0.61) MMP1MEN1KMT2ACYP3A4NPC1
SCHEMBL11072712 0.79 HTT (0.52) MEN1KMT2ALMNARAB9AMAPT
SCHEMBL9829827 0.79 CA2 (0.58) MEN1KMT2ACYP3A4NPC1RAB9A
SCHEMBL5637591 0.79 CA2 (0.58) MEN1KMT2ACYP3A4NPC1RAB9A

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