SCHEMBL31496873

SCHEMBL31496873

COC(=O)c1c(C(=O)COC(C)=O)cc(Br)nc1OC1CC1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ HCRTR1 O43613 2/20 0.31
▸ HCRTR2 O43614 2/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ MAOA P21397 1/20 0.30
▸ MAOB P27338 1/20 0.30

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
SCHEMBL31496970 0.96 LMNA (0.31) ALDH1A1LMNAHSD17B10HCRTR1HCRTR2
SCHEMBL31496960 0.86 HCRTR1 (0.32) ALDH1A1HCRTR1HCRTR2TSHRHTT
SCHEMBL31496920 0.82 KMT2A (0.32) HCRTR1HCRTR2
SCHEMBL31496937 0.81 OPRK1 (0.33) HCRTR1HCRTR2MAOAMAOB
SCHEMBL31496913 0.78 MAOA (0.35) ALDH1A1HCRTR1HCRTR2NPC1MAOA
SCHEMBL30753090 0.72 THRA (0.32) —
SCHEMBL31496862 0.72 KCNH2 (0.34) —
SCHEMBL31496916 0.69 — —
SCHEMBL30752860 0.68 — —
SCHEMBL31496829 0.68 PARP10 (0.36) —

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
CN-119585261-A PRMT5 inhibitor, preparation method and application thereof 上海艾力斯医药科技股份有限公司 2025-03-07 — — CN disclosed
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