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Sugi Predict / Compounds / SCHEMBL9406322

SCHEMBL9406322

SCHEMBL9406322

C=CCOC[C@H]1CC[C@H]([C@H]2CC[C@H](CC=CCOCC=CC[C@H]3CC[C@H]([C@H]4CC[C@H](COCC=C)CC4)CC3)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.38
▸ HTR2A P28223 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ HTR2B P41595 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL9406308 0.86 ALDH1A1 (0.48) ALDH1A1HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL9406313 0.86 ALDH1A1 (0.48) ALDH1A1HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL9645240 0.86 ALDH1A1 (0.48) ALDH1A1HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL9647463 0.85 ALDH1A1 (0.37) ALDH1A1HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL9647059 0.83 ALDH1A1 (0.38) ALDH1A1HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL9647837 0.81 ALDH1A1 (0.39) ALDH1A1HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL2734448 0.80 — —
SCHEMBL2232344 0.80 ALDH1A1 (0.54) ALDH1A1HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL9406392 0.79 — —
SCHEMBL9648021 0.79 ALDH1A1 (0.42) ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0355552-B1 Alkoxymethyl- and alkenyloxymethyl-cyclohexanes HOFFMANN LA ROCHE (CH) 1994-02-23 — — EP disclosed
EP-0355552-A2 Alkoxymethyl- and alkenyloxymethyl-cyclohexanes F. HOFFMANN-LA ROCHE AG (CH) 1990-02-28 — — EP disclosed