SCHEMBL28778287

SCHEMBL28778287

C=CC(=O)NCNC(=O)C=C.C=CC(C=C)=Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
TGM2 P21980 3/20 0.44
AKR1C3 P42330 1/20 0.42
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
AKR1C1 Q04828 1/20 0.41
RECQL P46063 1/20 0.40
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 1/20 0.39

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
Benzene SCHEMBL7850990 0.80 ALDH1A1 (0.50) ALDH1A1TSHRTGM2AKR1C3CYP3A4
SCHEMBL117901 0.80 ALDH1A1 (0.50) ALDH1A1TSHRTGM2AKR1C3CYP3A4
Ethylene SCHEMBL27501133 0.78 ALDH1A1 (0.48) ALDH1A1TSHRTGM2AKR1C3CYP3A4
Iodide SCHEMBL6554697 0.78 ALDH1A1 (0.48) ALDH1A1TSHRTGM2AKR1C3CYP3A4
Benzophenone SCHEMBL1200240 0.77 ALDH1A1 (0.59) ALDH1A1TSHRMAPK1TDP1TGM2
Butadiene SCHEMBL27714940 0.76 ALDH1A1 (0.46) ALDH1A1TSHRTGM2AKR1C3CYP3A4
SCHEMBL3285344 0.75 ALDH1A1 (0.61) ALDH1A1TSHRMAPK1TDP1TGM2
Styrene SCHEMBL9849012 0.74 ALDH1A1 (0.64) ALDH1A1TSHRTDP1AKR1C3CYP3A4
SCHEMBL2453860 0.74 TGM2 (0.53) ALDH1A1TSHRMAPK1TDP1TGM2
SCHEMBL9318768 0.73 CYP2C19 (0.58) ALDH1A1TSHRMAPK1TDP1TGM2

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
CN-116239857-A Anti-freezing conductive gel and preparation and application thereof 上海应用技术大学 2023-06-09 CN claimed
CN-116239857-A Anti-freezing conductive gel and preparation and application thereof 上海应用技术大学 2023-06-09 CN disclosed
CN-114736392-A High-strength self-healing hydrogel and preparation method thereof 武汉轻工大学 2022-07-12 CN disclosed