SCHEMBL9810846

SCHEMBL9810846

CC(Cc1cccc(Oc2ccccc2)c1)CN1C[C@@H](C)O[C@@H](C)C1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ADORA3 P0DMS8 1/20 0.50
CHRM1 P11229 1/20 0.50
DRD3 P35462 1/20 0.50
KCNH2 Q12809 1/20 0.50
GAA P10253 1/20 0.50
KDM4E B2RXH2 4/20 0.44
TDP1 Q9NUW8 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
MAPK1 P28482 2/20 0.43
FDFT1 P37268 2/20 0.41
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
FFAR1 O14842 1/20 0.39

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
SCHEMBL9810850 1.00 EBP (0.53) EBPSIGMAR1ALDH1A1MEN1KMT2A
SCHEMBL9845765 0.88 EBP (0.51) EBPSIGMAR1ALDH1A1MEN1KMT2A
SCHEMBL9810856 0.86 ALDH1A1 (0.49) EBPSIGMAR1ALDH1A1MEN1KMT2A
SCHEMBL9164585 0.85 EBP (0.52) EBPSIGMAR1ALDH1A1MEN1KMT2A
SCHEMBL11927700 0.85 EBP (0.70) EBPSIGMAR1ALDH1A1KMT2AADORA3
SCHEMBL4454622 0.85 EBP (0.70) EBPSIGMAR1ALDH1A1KMT2AADORA3
SCHEMBL4454620 0.85 EBP (0.70) EBPSIGMAR1ALDH1A1KMT2AADORA3
SCHEMBL14146050 0.85 EBP (0.70) EBPSIGMAR1ALDH1A1KMT2AADORA3
SCHEMBL11927701 0.85 EBP (0.70) EBPSIGMAR1ALDH1A1KMT2AADORA3
SCHEMBL9810872 0.84 EBP (0.51) EBPSIGMAR1ALDH1A1MEN1KMT2A

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-0262870-B1 MORPHOLINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-06-12 EP disclosed
US-4837236-A CONTROLLING PHYTOPATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-06-06 US disclosed
EP-0262870-A2 Morpholine, piperidine and tetrahydropyridine derivatives, processes for their preparation and their use as fungicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-04-06 EP disclosed