SCHEMBL9236352

SCHEMBL9236352

CC1=C(C(=O)O)C(c2cc(F)ccc2F)C(C(=O)OC(C)C)=C(C)N1CCCOc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PYGM P11217 16/20 0.47
PYGL P06737 15/20 0.47
ICMT O60725 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
FFAR1 O14842 1/20 0.38

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
SCHEMBL9233347 0.95 PYGM (0.47) PYGMPYGLMEN1KMT2AATM
SCHEMBL6953114 0.86 NR3C2 (0.49) PYGMPYGLMEN1KMT2AATM
SCHEMBL9236272 0.81 KMT2A (0.39) ICMTMEN1KMT2AATMFFAR1
SCHEMBL8912510 0.79 CACNA1C (0.45) MEN1KMT2A
SCHEMBL6947702 0.78 PYGM (0.53) PYGMPYGLKMT2A
SCHEMBL8913556 0.78 MEN1 (0.47) MEN1KMT2A
SCHEMBL6945485 0.76 NR3C2 (0.51) MEN1KMT2AATM
SCHEMBL9230837 0.73 PYGM (0.51) PYGMPYGL
SCHEMBL6953545 0.72 PYGM (0.49) PYGMPYGLMEN1KMT2A
SCHEMBL6949414 0.71 PYGM (0.49) PYGMPYGLMEN1KMT2A

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
EP-0657434-A1 Arylsubstituted -alkoxy-1,4-dihydropyridin-5-carbonic acid esters with cerebral activity BAYER AG (DE) 1995-06-14 EP disclosed