SCHEMBL8134584

SCHEMBL8134584

Cc1ccc(C(=O)OCc2ccccc2)cc1NC(=O)C(CN)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 0.50
KMT2A Q03164 4/20 0.49
LMNA P02545 3/20 0.49
MEN1 O00255 2/20 0.49
PKM P14618 1/20 0.49
RAB9A P51151 6/20 0.48
NPC1 O15118 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 2/20 0.47
ALDH1A1 P00352 2/20 0.46
ADRB2 P07550 1/20 0.46
ROCK1 Q13464 4/20 0.45
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MYLK4 Q86YV6 1/20 0.45
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL8135408 0.88 ROCK2 (0.51) ROCK2KMT2ALMNARAB9ANPC1
SCHEMBL8129497 0.88 ALDH1A1 (0.53) ROCK2KMT2ALMNAMEN1RAB9A
SCHEMBL8138192 0.87 ROCK2 (0.50) ROCK2KMT2ALMNAMEN1RAB9A
SCHEMBL8134581 0.83 LNPEP (0.60) KMT2ALMNAMEN1PKMRAB9A
SCHEMBL8135411 0.81 RAB9A (0.63) ROCK2KMT2ARAB9AALDH1A1ROCK1
SCHEMBL7096106 0.81 ROCK2 (0.59) ROCK2KMT2ARAB9AGAAROCK1
SCHEMBL24409500 0.78 KMT2A (0.55) KMT2ALMNAMEN1PKMRAB9A
SCHEMBL9058109 0.77 KMT2A (0.55) KMT2ALMNAMEN1PKMRAB9A
SCHEMBL8133659 0.76 ROCK2 (0.59) ROCK2KMT2ALMNARAB9AROCK1
SCHEMBL7435502 0.76 CYP1A2 (0.58) KMT2ALMNAMEN1PKMRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0720601-B1 GASTRIN AND CCK RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2000-10-25 EP disclosed
US-5919829-A Gastrin and cck receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 1999-07-06 US disclosed
US-5795907-A Gastin and CCK receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 1998-08-18 US disclosed