SCHEMBL30710404

SCHEMBL30710404

COC(=O)c1ccc2c(c1)[C@H](c1ccccc1C)N(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
NR1H2 P55055 2/20 0.39
UCHL1 P09936 1/20 0.38
USP30 Q70CQ3 1/20 0.38
GHSR Q92847 4/20 0.38
TRPV1 Q8NER1 1/20 0.38
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
ESR2 Q92731 1/20 0.37
NR1H3 Q13133 1/20 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
SCHEMBL30710250 1.00 LMNA (0.42) LMNATP53HDAC1HDAC6HSP90AA1
SCHEMBL30710394 0.90 CHRM3 (0.41) HDAC1HDAC6NR1H2UCHL1USP30
SCHEMBL30710477 0.84 MEN1 (0.41) NR1H2UCHL1GHSRTRPV1ESR2
SCHEMBL30710500 0.84 TRPM8 (0.41) NR1H2UCHL1USP30TRPV1
SCHEMBL29560706 0.83 TRPV1 (0.52) TRPV1
SCHEMBL29405461 0.83 NR1H2 (0.43) TP53HDAC1HDAC6NR1H2UCHL1
SCHEMBL30734235 0.80 ESR1 (0.51) LMNAGHSRTRPV1TSHRESR2
SCHEMBL30734308 0.80 ESR1 (0.51) LMNAGHSRTRPV1TSHRESR2
SCHEMBL27276906 0.80 ESR1 (0.51) LMNAGHSRTRPV1TSHRESR2
SCHEMBL30710294 0.78 NR1H2 (0.42) LMNAHDAC1HDAC6NR1H2TRPV1

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-2023250439-A1 TREX1 INHIBITORS AND USES THEREOF TEMPEST THERAPEUTICS, INC. (US) 2023-12-28 WO disclosed