SCHEMBL31399724

SCHEMBL31399724

COC(=O)CCSc1cccc2c(OC(F)F)nccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSMD14 O00487 1/20 0.36
▸ GSTP1 P09211 1/20 0.36
▸ GSTM2 P28161 1/20 0.36
▸ POLB P06746 4/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ PRNP P04156 2/20 0.35
▸ RXFP1 Q9HBX9 2/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ CXCR1 P25024 1/20 0.35
▸ CXCR2 P25025 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ HSD17B10 Q99714 3/20 0.34
▸ ALOX15 P16050 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ TRPV4 Q9HBA0 1/20 0.32
▸ USP2 O75604 1/20 0.31
▸ TSHR P16473 1/20 0.31

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
SCHEMBL31399752 0.77 APEX1 (0.44) POLBKMT2AALDH1A1MEN1CYP1A2
SCHEMBL31399756 0.77 APEX1 (0.44) POLBKMT2AALDH1A1MEN1CYP1A2
SCHEMBL22303101 0.73 RXFP1 (0.52) GSTP1GSTM2POLBKMT2APRNP
SCHEMBL2116085 0.73 CYP1A2 (0.54) GSTP1GSTM2POLBKMT2ARXFP1
SCHEMBL22303093 0.72 BRD4 (0.42) GSTP1GSTM2POLBKMT2ABRD4
SCHEMBL18320296 0.72 BRD4 (0.42) GSTP1GSTM2POLBKMT2ABRD4
SCHEMBL31399721 0.71 ALDH1A1 (0.41) GSTP1GSTM2POLBKMT2APRNP
SCHEMBL22848181 0.69 GSTP1 (0.40) GSTP1GSTM2POLBKMT2APRNP
SCHEMBL18320518 0.68 GSTP1 (0.39) GSTP1GSTM2POLBKMT2APRNP
SCHEMBL21855932 0.68 BRD4 (0.42) GSTP1GSTM2POLBKMT2ABRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4739672-A1 NEW COMPOUNDS Aston University (GB) 2026-05-13 — — EP disclosed
WO-2025008626-A1 NEW COMPOUNDS ASTON UNIVERSITY (GB) 2025-01-09 — — WO disclosed
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