SCHEMBL31075397

SCHEMBL31075397

COC(=O)[C@@H](CCC(C)(F)F)COCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC1A1 P43005 1/20 0.45
▸ KMT2A Q03164 2/20 0.43
▸ PPARA Q07869 2/20 0.43
▸ TSHR P16473 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ FOLH1 Q04609 2/20 0.41
▸ CTSS P25774 1/20 0.41
▸ CA1 P00915 2/20 0.40
▸ GHSR Q92847 2/20 0.40
▸ PPARG P37231 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CA2 P00918 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA9 Q16790 1/20 0.38

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
SCHEMBL31075599 0.88 SLC1A1 (0.55) SLC1A1PPARAFOLH1CTSSCA1
SCHEMBL6939976 0.81 SLC1A1 (0.49) SLC1A1KMT2AFOLH1CTSSCA1
SCHEMBL13535259 0.76 SLC1A1 (0.50) SLC1A1KMT2APPARACA1ALDH1A1
SCHEMBL13535255 0.75 SLC1A1 (0.48) SLC1A1KMT2AFOLH1CA1ALDH1A1
SCHEMBL30231867 0.73 CA1 (0.51) SLC1A1KMT2APPARATSHRFOLH1
SCHEMBL1195693 0.73 KMT2A (0.49) SLC1A1KMT2APPARATSHRFOLH1
SCHEMBL29097257 0.73 CA1 (0.51) SLC1A1KMT2APPARATSHRFOLH1
SCHEMBL4909047 0.73 KMT2A (0.49) SLC1A1KMT2APPARATSHRFOLH1
SCHEMBL4906646 0.73 KMT2A (0.49) SLC1A1KMT2APPARATSHRFOLH1
SCHEMBL13733029 0.73 CA1 (0.51) SLC1A1KMT2APPARATSHRFOLH1

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
WO-2025043094-A1 BENZOTHIA(DIA)ZEPINE COMPOUNDS FOR TREATMENT OF HBV AND HDV ASSEMBLY BIOSCIENCES, INC. (US) 2025-02-27 — — WO disclosed
WO-2024177984-A1 BENZOTHIA(DIA)ZEPINE COMPOUNDS FOR TREATMENT OF HBV AND HDV ASSEMBLY BIOSCIENCES, INC. (US) 2024-08-29 — — WO disclosed
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