SCHEMBL7696495

SCHEMBL7696495

C=C(C)CC(=NOC)C(C)=O

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 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
SCHEMBL7696492 1.00 ALDH1A1 (0.36) ALDH1A1MGAMGAASIMGAM2
SCHEMBL12528580 0.82 MGAM (0.44) ALDH1A1MGAMGAASIMGAM2
SCHEMBL7697883 0.79 KMT2A (0.31) ALDH1A1
SCHEMBL7697882 0.79 KMT2A (0.31) ALDH1A1
SCHEMBL17375382 0.77 MEN1 (0.39)
SCHEMBL17375381 0.77 MEN1 (0.39)
SCHEMBL7700253 0.77 MEN1 (0.39)
SCHEMBL7693544 0.75 HTT (0.39) ALDH1A1
SCHEMBL7693540 0.75 HTT (0.39) ALDH1A1
SCHEMBL12528583 0.74 ALDH1A1 (0.32) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6417388-B1 REARRANGEMENT USING BASIC OR ISOMERIZATION CATALYST BASF AKTIENGESELLSCHAFT (DE) 2002-07-09 US disclosed
US-6344589-B1 BIS/OXIMES FROM ACETOACETIC ESTERS BASF AKTIENGESELLSCHAFT (DE) 2002-02-05 US disclosed
EP-1131284-A1 METHOD AND INTERMEDIATE PRODUCTS FOR PRODUCING BIS(OXIM)MONOETHERS BASF AKTIENGESELLSCHAFT (DE) 2001-09-12 EP disclosed
EP-1131282-A1 METHOD FOR PRODUCING ALKENYL-SUBSTITUTED BIS(OXIMETHER) DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2001-09-12 EP disclosed
WO-2000031023-A1 METHOD FOR PRODUCING ALKENYL-SUBSTITUTED BIS(OXIMETHER) DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-06-02 WO disclosed
WO-2000031024-A1 METHOD AND INTERMEDIATE PRODUCTS FOR PRODUCING BIS(OXIM)MONOETHERS BASF AKTIENGESELLSCHAFT (DE) 2000-06-02 WO disclosed