SCHEMBL30734235

SCHEMBL30734235

COC(=O)c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)C2c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51
CA12 O43570 4/20 0.50
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
CA7 P43166 4/20 0.50
CA9 Q16790 4/20 0.50
CA14 Q9ULX7 4/20 0.50
TRPV1 Q8NER1 1/20 0.50
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
NPC1 O15118 1/20 0.46
MITF O75030 1/20 0.46
XBP1 P17861 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TAS2R14 Q9NYV8 1/20 0.45
GHSR Q92847 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL30734308 1.00 ESR1 (0.51) ESR1ESR2CA12CA1CA2
SCHEMBL27276906 1.00 ESR1 (0.51) ESR1ESR2CA12CA1CA2
SCHEMBL27276905 0.84 ESR1 (0.51) ESR1ESR2CA12CA1CA2
SCHEMBL1567179 0.83 CHRM3 (0.58) TRPV1CHRM3
SCHEMBL25142600 0.83 CHRM3 (0.58) TRPV1CHRM3
SCHEMBL30710294 0.83 NR1H2 (0.42) CA12CA1CA2CA7CA9
SCHEMBL30710500 0.82 TRPM8 (0.41) TRPV1MEN1KMT2A
SCHEMBL29560706 0.82 TRPV1 (0.52) CA12CA1CA2CA7CA9
SCHEMBL30710404 0.80 LMNA (0.42) ESR2TRPV1LMNAGHSRTSHR
SCHEMBL30710250 0.80 LMNA (0.42) ESR2TRPV1LMNAGHSRTSHR

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
WO-2023250399-A1 TREX1 INHIBITORS AND USES THEREOF TEMPEST THERAPEUTICS, INC. (US) 2023-12-28 WO disclosed