SCHEMBL10351355

SCHEMBL10351355

CCCc1cccc(CCC)c1C=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.39
GABRB2 P47870 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
DAO P14920 1/20 0.39
IAPP P10997 1/20 0.34
ELANE P08246 2/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GRM5 P41594 1/20 0.33
CTSG P08311 1/20 0.33
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33

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
SCHEMBL27956617 0.88 MEN1 (0.39) GABRA1GABRB2TDP1ALDH1A1MEN1
SCHEMBL955871 0.87 GAA (0.42) TDP1GAAL3MBTL1BIDMCL1
Benzene SCHEMBL28079086 0.86 MEN1 (0.38) GABRA1GABRB2TDP1ALDH1A1MEN1
SCHEMBL17974654 0.86 ALDH1A1 (0.57) GABRA1GABRB2TDP1ALDH1A1MEN1
SCHEMBL1527068 0.86 IAPP (0.44) GABRA1GABRB2IAPPELANECTSG
SCHEMBL29196605 0.85 BID (0.47) BIDMCL1BCL2L1BAK1
SCHEMBL952521 0.84 GAA (0.41) GABRA1GABRB2TDP1GAAL3MBTL1
SCHEMBL320588 0.83 GABRA1 (0.50) GABRA1GABRB2TDP1ALDH1A1MEN1
SCHEMBL28225124 0.82 FOLH1 (0.46) TDP1ALDH1A1L3MBTL1BIDMCL1
SCHEMBL29249201 0.81 GABRA1 (0.37) GABRA1GABRB2DAOIAPPELANE

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-0210140-B1 INHIBITORS OF BENZYLAMINOXIDASES, SELECTIVE WITH RESPECT TO OTHER AMINOXIDASES CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 1990-06-13 EP disclosed
US-4888283-A Selective inhibitors of benzylaminoxidases with respect to other aminoxidases CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 1989-12-19 US disclosed
EP-0210140-A2 Inhibitors of benzylaminoxidases, selective with respect to other aminoxidases CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 1987-01-28 EP disclosed