SCHEMBL9810886

SCHEMBL9810886

CC(CI)Cc1cccc(Oc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FDFT1 P37268 2/20 0.48
▸ PTGES O14684 1/20 0.47
▸ TAAR1 Q96RJ0 2/20 0.46
▸ 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 2/20 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
▸ TDP1 Q9NUW8 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ CETP P11597 1/20 0.44
▸ PTGS1 P23219 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ MEN1 O00255 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
SCHEMBL9810853 0.84 PTGES (0.50) FDFT1PTGESTAAR1MMEACE
SCHEMBL8174800 0.83 CETP (0.54) FDFT1PTGESTAAR1MMEACE
SCHEMBL24106466 0.83 ALDH1A1 (0.49) FDFT1PTGESTAAR1MMEACE
SCHEMBL30116724 0.81 TAAR1 (0.69) FDFT1PTGESTAAR1MMEACE
SCHEMBL24098463 0.81 TAAR1 (0.69) FDFT1PTGESTAAR1MMEACE
SCHEMBL28973673 0.81 TAAR1 (0.69) FDFT1PTGESTAAR1MMEACE
SCHEMBL9810894 0.80 FDFT1 (0.48) FDFT1PTGESTAAR1MMEACE
SCHEMBL19059416 0.80 MME (0.54) FDFT1PTGESTAAR1MMEACE
SCHEMBL27338431 0.80 PTGES (0.52) FDFT1PTGESTAAR1MMEACE
SCHEMBL23085168 0.79 CETP (0.50) FDFT1PTGESTAAR1MMEACE

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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