SCHEMBL9810873

SCHEMBL9810873

C/C(=C\c1cccc(Oc2ccccc2)c1)CBr

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.49
PTGS1 P23219 2/20 0.49
PTGS2 P35354 2/20 0.49
ALOX5AP P20292 1/20 0.49
LMNA P02545 2/20 0.48
ATM Q13315 1/20 0.48
EPOR P19235 3/20 0.48
TLR4 O00206 2/20 0.43
TLR2 O60603 2/20 0.43
MAPT P10636 3/20 0.43
BACE1 P56817 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
AKR1C3 P42330 1/20 0.40
HSP90AA1 P07900 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL9810874 1.00 ALOX5 (0.49) ALOX5PTGS1PTGS2ALOX5APLMNA
SCHEMBL9810865 0.86 ALOX5 (0.50) ALOX5PTGS1PTGS2ALOX5APLMNA
SCHEMBL9810862 0.86 ALOX5 (0.50) ALOX5PTGS1PTGS2ALOX5APLMNA
SCHEMBL9810847 0.82 ALOX5 (0.50) ALOX5PTGS1PTGS2ALOX5APLMNA
SCHEMBL11155936 0.82 ATM (0.54) ALOX5PTGS1PTGS2ALOX5APLMNA
SCHEMBL21470276 0.79 AKR1C3 (0.62) ALOX5PTGS1PTGS2ALOX5APLMNA
SCHEMBL3596805 0.79 AKR1C3 (0.54) MEN1KMT2AALDH1A1AKR1C3HTT
SCHEMBL9597880 0.79 AKR1C3 (0.54) MEN1KMT2AALDH1A1AKR1C3HTT
SCHEMBL3596807 0.79 AKR1C3 (0.54) MEN1KMT2AALDH1A1AKR1C3HTT
SCHEMBL11183385 0.78 ALOX5 (0.40) ALOX5PTGS1PTGS2ALOX5APLMNA

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