SCHEMBL8656240

SCHEMBL8656240

CCN1CCN(CCCC2C(N3CCN(CCC(=O)O)CC3)OC(=O)N2C)CC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.35
GLA P06280 1/20 0.34
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
CYP1A2 P05177 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 1/20 0.32
TERT O14746 1/20 0.32
HTR7 P34969 2/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 2/20 0.30

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
SCHEMBL8658466 0.95 CYP1A2 (0.38) PKMKMT2AALDH1A1KDM4EMEN1
SCHEMBL8658295 0.91 ALDH1A1 (0.33) PKMKMT2AALDH1A1KDM4EMEN1
SCHEMBL8658344 0.90 GLA (0.33) GLAALDH1A1CYP1A2MAPK1SMN1; SMN2
SCHEMBL8657859 0.88 ITGB3 (0.32) GLAMAPK1
SCHEMBL8656723 0.88 SMN1; SMN2 (0.38) PKMKMT2AALDH1A1KDM4EMEN1
SCHEMBL8655169 0.88 MAOB (0.35) GLACYP1A2MAPK1SMN1; SMN2
SCHEMBL8658456 0.86 GAA (0.34) PKMGLAKMT2AALDH1A1KDM4E
SCHEMBL8657207 0.86 GLA (0.39) PKMGLAALDH1A1CYP1A2MAPK1
SCHEMBL8659258 0.85 ITGB3 (0.33) GLA
SCHEMBL8657796 0.85 KMT2A (0.43) KMT2AALDH1A1SMN1; SMN2HTR7

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-5776937-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-07-07 US disclosed