SCHEMBL9136103

SCHEMBL9136103

CC[N+](CC)(CC)Cc1ccccc1.O=C([O-])c1ccccc1S(=O)(=O)c1ccccc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CA12 O43570 6/20 0.44
CA9 Q16790 6/20 0.44
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.41
CYP2D6 P10635 1/20 0.41
KMT2A Q03164 1/20 0.41
TAS2R10 Q9NYW0 1/20 0.41
MMP1 P03956 2/20 0.39
MMP2 P08253 2/20 0.39
MMP9 P14780 2/20 0.39
MMP8 P22894 2/20 0.39
MMP13 P45452 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
F2 P00734 3/20 0.37
PRSS1 P07477 3/20 0.37
PRSS2 P07478 3/20 0.37

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
SCHEMBL9134304 0.96 TSHR (0.43) TSHRSMN1; SMN2CA12CA9LMNA
SCHEMBL9134309 0.93 TSHR (0.53) TSHRSMN1; SMN2CA12CA9LMNA
SCHEMBL9136109 0.93 TSHR (0.53) TSHRSMN1; SMN2CA12CA9LMNA
Tetrylammonium SCHEMBL9134686 0.91 CA12 (0.48) TSHRSMN1; SMN2CA12CA9POLB
SCHEMBL9134284 0.87 TSHR (0.49) TSHRSMN1; SMN2CA12CA9POLB
Phthalic Acid SCHEMBL8435580 0.85 KMT2A (0.46) TSHRSMN1; SMN2LMNAPOLBMEN1
Tetrylammonium SCHEMBL9134593 0.85 POLB (0.39) TSHRSMN1; SMN2CA12CA9LMNA
Phthalic Acid SCHEMBL8435038 0.83 KMT2A (0.49) TSHRLMNAPOLBMEN1CYP2D6
Tetrylammonium SCHEMBL9134689 0.83 CA12 (0.54) TSHRSMN1; SMN2CA12CA9POLB
Tetrylammonium SCHEMBL9134596 0.83 CA12 (0.54) TSHRSMN1; SMN2CA12CA9POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5378571-A Toners for electrography HOECHST AKTIENGESELLSCHAFT (DE) 1995-01-03 US disclosed