SCHEMBL22036686

SCHEMBL22036686

CC(CC(C)(C)c1ccccc1S)OC=O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30
MDM4 O15151 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
SCHEMBL23542700 0.74 TDP1 (0.38)
SCHEMBL19041811 0.70 MEN1 (0.32) TSHRMEN1KMT2ATAAR1
SCHEMBL11765729 0.69
SCHEMBL12900809 0.69 MAPK1 (0.39) TP53TSHRTAAR1MDM4
SCHEMBL10529437 0.68 TDP1 (0.32)
SCHEMBL7449086 0.67 TSHR (0.37) TP53TSHRTAAR1MDM4
SCHEMBL10687321 0.67 TAAR1 (0.50) TSHRTAAR1
SCHEMBL29009027 0.67 SHBG (0.38) TSHRTAAR1
SCHEMBL3678022 0.67 TAAR1 (0.55) MEN1KMT2ATAAR1
SCHEMBL21189696 0.66 ALDH1A1 (0.31) TSHR

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
EP-3656403-A1 PREPARATION PROCESS OF PSMA BINDING LIGAND-LINKER CONJUGATES Purdue Research Foundation (US) 2020-05-27 EP disclosed