SCHEMBL31283733

SCHEMBL31283733

COC1(c2ccc(Br)cn2)CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.43
RORC P51449 3/20 0.42
CYP11B2 P19099 1/20 0.41
SCD5 Q86SK9 1/20 0.38
SYK P43405 1/20 0.38
ACACB O00763 2/20 0.37
USP30 Q70CQ3 2/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
ROCK2 O75116 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
FPR3 P25089 1/20 0.36

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
SCHEMBL31284790 0.84 CYP11B2 (0.39) CYP11B2SCD5SYKACACBGPR119
SCHEMBL30784562 0.84 SYK (0.45) DGAT1RORCCYP11B2SCD5SYK
SCHEMBL16554661 0.84 SYK (0.45) DGAT1RORCCYP11B2SCD5SYK
SCHEMBL16554368 0.84 RORC (0.40) DGAT1RORCCYP11B2SCD5SYK
SCHEMBL31283755 0.83 RORC (0.45) DGAT1RORCCYP11B2SCD5SYK
SCHEMBL30280837 0.81 SYK (0.50) DGAT1RORCCYP11B2SYKJAK2
SCHEMBL12489274 0.81 SYK (0.50) DGAT1RORCCYP11B2SYKJAK2
SCHEMBL23210981 0.81 RORC (0.41) DGAT1RORCCYP11B2SCD5SYK
SCHEMBL30308856 0.81 RORC (0.41) DGAT1RORCCYP11B2SCD5SYK
SCHEMBL31015341 0.80 CTSL (0.39) DGAT1RORCGPR119CTSLCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4731216-A1 HETEROARYL-AMINE COMPOUNDS AND USE THEREOF AS HDAC6 INHIBITORS Augustine Therapeutics (BE) 2026-04-29 EP disclosed
WO-2024261327-A1 2-(HETEROARYL-THIO)-1-(HETEROARYL)ETHANONE COMPOUNDS AND USE THEREOF AS HDAC6 INHIBITORS AUGUSTINE THERAPEUTICS (BE) 2024-12-26 WO disclosed
WO-2024261329-A1 HETEROARYL-AMINE COMPOUNDS AND USE THEREOF AS HDAC6 INHIBITORS AUGUSTINE THERAPEUTICS (BE) 2024-12-26 WO disclosed