SCHEMBL6993079

SCHEMBL6993079

COC(C)OC.O=CCNC=O

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 3/20 0.41
ADH1A P07327 3/20 0.41
ADH1C P00326 2/20 0.41
ADH7 P40394 2/20 0.32

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
SCHEMBL356542 0.79
SCHEMBL7669607 0.77 ADH1B (0.73) ADH1BADH1AADH1CADH7
SCHEMBL873604 0.77
SCHEMBL7673181 0.72 ADH1B (0.68) ADH1BADH1AADH1CADH7
Propionaldehyde SCHEMBL1412137 0.72 ALDH1A1 (0.53)
SCHEMBL8808939 0.72 ADH1B (0.36) ADH1BADH1AADH1C
Malonaldehyde SCHEMBL8113991 0.72 ALDH1A1 (0.30)
Butanal SCHEMBL6247082 0.71 ALDH1A1 (0.60) ADH1BADH1AADH7
SCHEMBL2075451 0.70
SCHEMBL483681 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1015446-B1 (4-PIPERIDINYL)-1H-2-BENZOPYRAN DERIVATIVES USEFUL AS ANTIPSYCHOTIC AGENTS AVENTIS PHARMA INC (US) 2003-04-02 EP disclosed
EP-1015446-A1 (4-PIPERIDINYL)-1H-2-BENZOPYRAN DERIVATIVES USEFUL AS ANTIPSYCHOTIC AGENTS Aventis Pharmaceuticals Inc. (US) 2000-07-05 EP disclosed
US-6004982-A SIDE EFFECT REDUCTION; SCHIZOPHRENIA HOECHST MARION ROUSSEL, INC. (US) 1999-12-21 US disclosed
WO-1998034933-A1 (4-PIPERIDINYL)-1H-2-BENZOPYRAN DERIVATIVES USEFUL AS ANTIPSYCHOTIC AGENTS HOECHST MARION ROUSSEL, INC. (US) 1998-08-13 WO disclosed