SCHEMBL31648531

SCHEMBL31648531

Cc1c2c(nn1CC(=O)O)C(C)CC2

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.46
▸ GAA P10253 1/20 0.44
▸ LMNA P02545 3/20 0.38
▸ POLQ O75417 2/20 0.35
▸ HCAR2 Q8TDS4 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ EPHX2 P34913 1/20 0.33
▸ PTGDR2 Q9Y5Y4 2/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL31648311 0.91 ALDH1A1 (0.44) ALDH1A1GAALMNAPOLQTSHR
SCHEMBL31648301 0.83 MAPK1 (0.41) ALDH1A1GAALMNATSHRMEN1
SCHEMBL31648461 0.80 POLQ (0.47) ALDH1A1GAALMNAPOLQHCAR2
Lithium Ion SCHEMBL31648320 0.77 POLQ (0.35) POLQ
SCHEMBL31648183 0.75 ALDH1A1 (0.41) ALDH1A1GAALMNAPOLQTSHR
SCHEMBL23140019 0.69 KLKB1 (0.43) —
SCHEMBL31648305 0.69 HRH2 (0.33) —
SCHEMBL14488052 0.68 ALDH1A1 (0.44) ALDH1A1GAALMNANPSR1EPHX2
SCHEMBL18325696 0.68 ALDH1A1 (0.44) ALDH1A1GAALMNATSHRNPSR1
SCHEMBL18325698 0.68 ALDH1A1 (0.44) ALDH1A1GAALMNAPOLQTSHR

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-2025132946-A1 PHENYLPYRROLIDINE DERIVATIVES AND THEIR USE AS POI-THETA DERIVATIVES BREAKPOINT THERAPEUTICS GMBH (DE) 2025-06-26 — — WO disclosed
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