SCHEMBL9810853

SCHEMBL9810853

CC(CO)Cc1cccc(Oc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 1/20 0.50
▸ FFAR1 O14842 3/20 0.49
▸ MME P08473 1/20 0.49
▸ ACE P12821 1/20 0.49
▸ CPA1 P15085 1/20 0.49
▸ ACE2 Q9BYF1 1/20 0.49
▸ PPARG P37231 1/20 0.49
▸ PPARA Q07869 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ FDFT1 P37268 2/20 0.48
▸ PTGS1 P23219 1/20 0.46
▸ TAAR1 Q96RJ0 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL11434236 0.85 LTA4H (0.58) FFAR1MMEACECPA1ACE2
SCHEMBL9845668 0.84 CYP4F2 (0.60) PTGESMMEACECPA1ACE2
SCHEMBL9810886 0.84 FDFT1 (0.48) PTGESFFAR1MMEACECPA1
SCHEMBL8592674 0.83 TAAR1 (0.67) TSHRTAAR1
SCHEMBL24925835 0.83 TAAR1 (0.67) TSHRTAAR1
SCHEMBL27338431 0.83 PTGES (0.52) PTGESFFAR1MMEACECPA1
SCHEMBL8174800 0.83 CETP (0.54) PTGESFFAR1MMEACECPA1
SCHEMBL24106466 0.83 ALDH1A1 (0.49) PTGESFFAR1MMEACECPA1
SCHEMBL24098463 0.81 TAAR1 (0.69) PTGESFFAR1MMEACECPA1
SCHEMBL28973673 0.81 TAAR1 (0.69) PTGESFFAR1MMEACECPA1

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
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