SCHEMBL30200152

SCHEMBL30200152

C=Cc1ccc(C[S+](CC)CC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
TSHR P16473 1/20 0.36
HDAC8 Q9BY41 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL30200141 0.81 ALDH1A1 (0.39) ALDH1A1TDP1CHRNB2CHRNB4CHRNA3
SCHEMBL30200215 0.78 ALDH1A1 (0.50) ALDH1A1TDP1CHRNB2CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL30093040 0.77 ALDH1A1 (0.48) ALDH1A1TDP1CHRNB2CHRNB4CHRNA3
SCHEMBL15915 0.75 ALDH1A1 (0.58) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
Arsenic SCHEMBL28835563 0.73 ALDH1A1 (0.55) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
Ethylene SCHEMBL28003592 0.73 ALDH1A1 (0.55) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
Butane SCHEMBL28268770 0.71 ALDH1A1 (0.69) ALDH1A1TDP1CHRNB2CHRNB4CHRNA3
SCHEMBL52038 0.71 ALDH1A1 (0.52) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL91630 0.71 ALDH1A1 (0.46) ALDH1A1TDP1CHRNB2CHRNB4CHRNA3
SCHEMBL28846222 0.70 ALDH1A1 (0.50) ALDH1A1TDP1CHRNB2CHRNB4CHRNA3

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-20230101362-A1 RNA STABILIZATION TEAM MEDICAL LLC 2023-03-30 US disclosed
WO-2023044455-A2 RNA STABILIZATION TEAM MEDICAL LLC (US) 2023-03-23 WO disclosed