SCHEMBL9838201

SCHEMBL9838201

CCC(CN(CC(=O)O)Cc1ccccc1)N(CC(=O)O)CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.41
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
POLB P06746 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
RORC P51449 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL6994848 0.82 POLB (0.49) PPARGLMNAL3MBTL1MEN1KMT2A
SCHEMBL8323483 0.81 TDP1 (0.41) LMNAHSD17B10KDM4ETDP1
SCHEMBL11756041 0.79 TDP1 (0.39) LMNAHSD17B10KDM4ETDP1
SCHEMBL212272 0.79 AKR1B1 (0.52) LMNAMEN1KMT2ANPC1RAB9A
SCHEMBL29505895 0.78 CYP1A2 (0.43)
SCHEMBL5337605 0.77 LMNA (0.55) LMNAL3MBTL1CA12ALDH1A1KDM4E
SCHEMBL5512649 0.77 OPRK1 (0.48) L3MBTL1MEN1KMT2ANPC1RAB9A
SCHEMBL20135643 0.77 MEN1 (0.45) PPARGLMNAMEN1KMT2ANPC1
SCHEMBL20135644 0.77 MEN1 (0.45) PPARGLMNAMEN1KMT2ANPC1
SCHEMBL186172 0.77 MEP1B (0.50) PPARGLMNAMEN1KMT2ANPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5013666-A Liquid solution containing buffer, calcium sequestering agent BIONOSTICS, INCORPORATED (US) 1991-05-07 US disclosed
US-4945062-A Control for blood gas/calcium analysis instrumentation BIONOSTICS INCORPORATED (US) 1990-07-31 US disclosed