SCHEMBL7753100

SCHEMBL7753100

CCCCCC(NC=O)NC=O

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 4/20 0.63
ADH1C P00326 4/20 0.63
ADH1A P07327 4/20 0.63
ADH7 P40394 3/20 0.63
ADH4 P08319 2/20 0.63
EPHX1 P07099 1/20 0.44
MAPT P10636 2/20 0.41
TRPA1 O75762 1/20 0.41
DDAH1 O94760 1/20 0.41
GAPDH P04406 1/20 0.41
TSHR P16473 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
OPRM1 P35372 1/20 0.37
FDPS P14324 4/20 0.37
ALDH1A1 P00352 1/20 0.36
CNR2 P34972 1/20 0.36
GPR84 Q9NQS5 3/20 0.35
FFAR1 O14842 1/20 0.35
CA1 P00915 1/20 0.35

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
SCHEMBL14399676 0.93 ADH1B (0.54) ADH1BADH1CADH1AADH7ADH4
SCHEMBL4310865 0.85 ADH1B (0.48) ADH1BADH1CADH1AADH7ADH4
SCHEMBL8068066 0.82 ADH1B (0.46) ADH1BADH1CADH1AADH7ADH4
SCHEMBL11450788 0.81 ADH1B (0.63) ADH1BADH1CADH1AADH7ADH4
SCHEMBL5003472 0.79 ADH1B (0.96) ADH1BADH1CADH1AADH7ADH4
SCHEMBL30583121 0.79 ADH1B (0.96) ADH1BADH1CADH1AADH7ADH4
SCHEMBL18558683 0.79 ADH1B (0.67) ADH1BADH1CADH1AADH7ADH4
SCHEMBL20835080 0.79 ADH1B (0.67) ADH1BADH1CADH1AADH7ADH4
SCHEMBL11111750 0.79 ADH1B (0.67) ADH1BADH1CADH1AADH7ADH4
SCHEMBL277250 0.79 ADH1B (0.96) ADH1BADH1CADH1AADH7ADH4

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
CN-113214769-B High-thixotropy high-strength jade glue 武汉市科达云石护理材料有限公司 2023-03-31 CN claimed
WO-2001058912-A1 DINUCLEAR GROUP 4 METAL BORON OR ALUMINUM BRIDGE CONTAINING ANSA-COMPLEXES THE DOW CHEMICAL COMPANY (US) 2001-08-16 WO claimed
CN-113214769-B High-thixotropy high-strength jade glue 武汉市科达云石护理材料有限公司 2023-03-31 CN disclosed
WO-2001058912-A1 DINUCLEAR GROUP 4 METAL BORON OR ALUMINUM BRIDGE CONTAINING ANSA-COMPLEXES THE DOW CHEMICAL COMPANY (US) 2001-08-16 WO disclosed