SCHEMBL9810871

SCHEMBL9810871

CC(=Cc1cccc(Oc2ccccc2)c1)CN1CC(C)OC(C)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.52
KMT2A Q03164 7/20 0.52
ALDH1A1 P00352 3/20 0.52
GAA P10253 1/20 0.52
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 4/20 0.40
HSP90AA1 P07900 1/20 0.40
ALOX5 P09917 1/20 0.40
ALOX5AP P20292 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 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
SCHEMBL9810870 1.00 MEN1 (0.52) MEN1KMT2AALDH1A1GAAPKM
SCHEMBL11250417 0.85 PKM (0.56) MEN1KMT2AALDH1A1PKMMAPK1
SCHEMBL9810865 0.74 ALOX5 (0.50) MEN1KMT2AALDH1A1HSP90AA1ALOX5
SCHEMBL9810862 0.74 ALOX5 (0.50) MEN1KMT2AALDH1A1HSP90AA1ALOX5
SCHEMBL9810873 0.73 ALOX5 (0.49) MEN1KMT2AALDH1A1GAAHSP90AA1
SCHEMBL9810874 0.73 ALOX5 (0.49) MEN1KMT2AALDH1A1GAAHSP90AA1
SCHEMBL9810847 0.71 ALOX5 (0.50) MEN1KMT2AALDH1A1HSP90AA1ALOX5
SCHEMBL11155936 0.70 ATM (0.54) MEN1KMT2AALDH1A1TSHRHSP90AA1
SCHEMBL11399593 0.70 SIGMAR1 (0.51) MEN1KMT2AALDH1A1GAAPKM
SCHEMBL11489613 0.70 SIGMAR1 (0.51) MEN1KMT2AALDH1A1GAAPKM

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