SCHEMBL31013845

SCHEMBL31013845

COc1cc2c(c(N[C@@H]3CCOC3)c1)CN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.43
▸ STS P08842 2/20 0.38
▸ DYRK1A Q13627 1/20 0.36
▸ MMP1 P03956 4/20 0.36
▸ MMP3 P08254 4/20 0.36
▸ MMP7 P09237 4/20 0.36
▸ MMP9 P14780 4/20 0.36
▸ DDB1 Q16531 2/20 0.36
▸ CRBN Q96SW2 2/20 0.36
▸ MMP8 P22894 3/20 0.35
▸ MMP13 P45452 3/20 0.35
▸ MMP2 P08253 2/20 0.35
▸ PDE1B Q01064 3/20 0.35
▸ PDE1C Q14123 3/20 0.35
▸ PDE1A P54750 2/20 0.35
▸ CCR2 P41597 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HPGDS O60760 1/20 0.35
▸ FASN P49327 1/20 0.35
▸ LRRK2 Q5S007 1/20 0.34

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
SCHEMBL31013866 0.92 ALDH1A1 (0.43) ALDH1A1STSDYRK1AMMP1MMP3
SCHEMBL31013977 0.88 ESR2 (0.42) ALDH1A1DDB1CRBNCCR2HDAC1
SCHEMBL31014014 0.88 HRH3 (0.40) ALDH1A1
SCHEMBL31014023 0.88 HRH3 (0.40) ALDH1A1
SCHEMBL31013913 0.88 STS (0.35) ALDH1A1STSDDB1CRBNMMP13
SCHEMBL31013938 0.87 USP30 (0.36) ALDH1A1DDB1CRBNCCR2HDAC1
SCHEMBL31014101 0.86 MGLL (0.40) ALDH1A1DDB1CRBN
SCHEMBL31013948 0.86 MGLL (0.40) ALDH1A1DDB1CRBN
SCHEMBL31014020 0.85 NAMPT (0.36) ALDH1A1DDB1CRBNCCR2HDAC1
SCHEMBL31013871 0.85 HDAC1 (0.40) ALDH1A1DDB1CRBNCCR2HDAC1

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-4651955-A1 INHIBITOR COMPOUNDS Neophore Limited (GB) 2025-11-26 — — EP disclosed
WO-2024153947-A1 INHIBITOR COMPOUNDS Neophore Limited (GB) 2024-07-25 — — WO disclosed
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