SCHEMBL23744240

SCHEMBL23744240

C=Cc1cccc(CCCN=C=O)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MIF P14174 5/20 0.39
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NAAA Q02083 3/20 0.34
FAAH O00519 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
HTR3A P46098 2/20 0.30
HTR3E A5X5Y0 1/20 0.30
HTR3B O95264 1/20 0.30
HTR3D Q70Z44 1/20 0.30
HTR3C Q8WXA8 1/20 0.30
NOS1 P29475 1/20 0.30
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30
HDAC4 P56524 1/20 0.30
MEF2D Q14814 1/20 0.30

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
SCHEMBL9251367 0.91 MIF (0.41) MIFTP53TDP1FAAHALDH1A1
SCHEMBL9752705 0.84 MIF (0.48) MIFNAAAHTR3AHTR3EHTR3B
SCHEMBL3618228 0.81 MIF (0.40) MIFTDP1NAAAALDH1A1TSHR
SCHEMBL3628956 0.81 TP53 (0.44) MIFTP53TDP1FAAHGRIN1
SCHEMBL6808470 0.79 MIF (0.50) MIFNAAAHTR3AHTR3EHTR3B
SCHEMBL595251 0.78 TP53 (0.47) TP53TDP1FAAHALDH1A1TSHR
SCHEMBL21248287 0.78 HTR3E (0.51) MIFHTR3AHTR3EHTR3BHTR3D
SCHEMBL23648092 0.77 TP53 (0.42) TP53TDP1FAAHALDH1A1TSHR
SCHEMBL3621874 0.76 MIF (0.41) MIFTDP1NAAAALDH1A1
SCHEMBL595016 0.76 TP53 (0.52) TP53TDP1FAAHALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11649325-B2 Actinically-crosslinkable polysiloxane-polyglycerol block copolymers and methods of making and use thereof Clearlab Sg Pte Ltd. (SG) 2023-05-16 US disclosed
US-20210246270-A1 ACTINICALLY-CROSSLINKABLE POLYSILOXANE-POLYGLYCEROL BLOCK COPOLYMERS AND METHODS OF MAKING AND USE THEREOF Clearlab Sg Pte Ltd. (SG) 2021-08-12 US disclosed