SCHEMBL9810894

SCHEMBL9810894

CC(CC=O)Cc1cccc(Oc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FDFT1 P37268 2/20 0.48
▸ PTGES O14684 1/20 0.47
▸ MME P08473 1/20 0.46
▸ ACE P12821 1/20 0.46
▸ CPA1 P15085 1/20 0.46
▸ ACE2 Q9BYF1 1/20 0.46
▸ FFAR1 O14842 3/20 0.46
▸ PPARG P37231 1/20 0.46
▸ PPARA Q07869 1/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ PTGS1 P23219 1/20 0.43
▸ TAAR1 Q96RJ0 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL9810892 0.82 FDFT1 (0.50) FDFT1PTGESMMEACECPA1
SCHEMBL25209356 0.81 TAAR1 (0.53) TAAR1MEN1KMT2ATDP1
SCHEMBL7354997 0.81 TAAR1 (0.53) TAAR1MEN1KMT2ATDP1
SCHEMBL9810853 0.80 PTGES (0.50) FDFT1PTGESMMEACECPA1
SCHEMBL9810886 0.80 FDFT1 (0.48) FDFT1PTGESMMEACECPA1
SCHEMBL8174800 0.79 CETP (0.54) FDFT1PTGESMMEACECPA1
SCHEMBL24106466 0.79 ALDH1A1 (0.49) FDFT1PTGESMMEACECPA1
SCHEMBL30116724 0.78 TAAR1 (0.69) FDFT1PTGESMMEACECPA1
SCHEMBL24098463 0.78 TAAR1 (0.69) FDFT1PTGESMMEACECPA1
SCHEMBL28973673 0.78 TAAR1 (0.69) FDFT1PTGESMMEACECPA1

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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