SCHEMBL28667698

SCHEMBL28667698

C(=Cc1ccccc1Cc1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.48
TRPA1 O75762 2/20 0.48
PTGER3 P43115 5/20 0.45
PTGER2 P43116 4/20 0.45
PTGDR Q13258 4/20 0.45
TBXA2R P21731 3/20 0.45
PTGER4 P35408 3/20 0.44
CHAT P28329 1/20 0.44
PTGFR P43088 2/20 0.43
HTR2A P28223 1/20 0.42
CALM1 P0DP23 1/20 0.42
PTGER1 P34995 1/20 0.42
PTGIR P43119 1/20 0.42
BCL2 P10415 1/20 0.41
BCL2L1 Q07817 1/20 0.41
MAOB P27338 2/20 0.39
CAPN1 P07384 1/20 0.39
CYP19A1 P11511 1/20 0.39
MAOA P21397 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
SCHEMBL10489995 0.85 NFE2L2 (0.43) NFE2L2TRPA1PTGER3PTGER2PTGDR
SCHEMBL28808528 0.84 TRPA1 (0.50) NFE2L2TRPA1PTGER3PTGER2PTGER4
SCHEMBL7770141 0.84 TSHR (0.54) PTGER3PTGER2PTGDRTBXA2RPTGER4
SCHEMBL7770140 0.84 TSHR (0.54) PTGER3PTGER2PTGDRTBXA2RPTGER4
SCHEMBL10598872 0.82 TBXA2R (0.48) PTGER3PTGER2PTGDRTBXA2RPTGER4
SCHEMBL11882265 0.78 NFE2L2 (0.43) NFE2L2TRPA1PTGER3PTGER2PTGER4
SCHEMBL16105737 0.78 CHAT (0.62) NFE2L2TRPA1PTGER3PTGER2PTGER4
SCHEMBL11357186 0.78 TRPA1 (0.55) NFE2L2TRPA1PTGER3PTGER2PTGER4
SCHEMBL8864228 0.78 NFE2L2 (0.50) NFE2L2TRPA1PTGER3PTGER2PTGER4
SCHEMBL1248288 0.78 NFE2L2 (0.50) NFE2L2TRPA1PTGER3PTGER2PTGER4

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-118240183-A Organic pi conjugated polymer, organic pi conjugated polymer-nano gold photo-thermal composite material and preparation method thereof 南京工业大学 2024-06-25 CN disclosed
CN-113773227-B Method for preparing epsilon-, zeta-, eta-cyano carboxylic acid from carbon dioxide 常州大学 2023-07-25 CN disclosed
CN-115160912-A Fluorescent temperature-sensitive coating material based on conjugated polymer and preparation method and application thereof 南京工业大学 2022-10-11 CN disclosed
CN-113773227-A Method for preparing epsilon-, zeta-, eta-cyano carboxylic acid from carbon dioxide 常州大学 2021-12-10 CN disclosed