SCHEMBL29069237

SCHEMBL29069237

CN(CCC(=O)O)CCN1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ITGB3 P05106 2/20 0.40
▸ ITGA2B P08514 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CHRM5 P08912 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ SIGMAR1 Q99720 4/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ KDM5A P29375 1/20 0.37
▸ KDM4C Q9H3R0 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ GLA P06280 1/20 0.36
▸ F2R P25116 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35

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
SCHEMBL21848373 0.84 ALDH1A1 (0.45) ALDH1A1MAPTSIGMAR1HSD17B10SMN1; SMN2
SCHEMBL18024035 0.79 ALDH1A1 (0.40) MEN1KMT2AALDH1A1MAPTSIGMAR1
SCHEMBL25540401 0.78 KDM5A (0.45) MEN1KMT2AALDH1A1MAPTSIGMAR1
SCHEMBL905223 0.78 GLA (0.55) MEN1KMT2AITGB3ITGA2BALDH1A1
SCHEMBL7344790 0.78 GLA (0.55) MEN1KMT2AITGB3ITGA2BALDH1A1
SCHEMBL18427338 0.77 CA12 (0.44) ALDH1A1MAPTSIGMAR1HSD17B10SMN1; SMN2
SCHEMBL21120551 0.77 SIGMAR1 (0.42) ALDH1A1MAPTSIGMAR1HSD17B10SMN1; SMN2
SCHEMBL10858386 0.77 ALDH1A1 (0.41) MEN1KMT2AALDH1A1MAPTCHRM5
SCHEMBL8795424 0.76 GLA (0.53) MEN1KMT2AITGB3ITGA2BALDH1A1
SCHEMBL7508214 0.76 GLA (0.53) MEN1KMT2AITGB3ITGA2BALDH1A1

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
CN-116715828-A Water-based polyurethane-urea dispersion with enhanced hydrogen bond and ion interaction, and preparation method and application thereof 万华化学集团股份有限公司 2023-09-08 — — CN claimed
CN-116715828-A Water-based polyurethane-urea dispersion with enhanced hydrogen bond and ion interaction, and preparation method and application thereof 万华化学集团股份有限公司 2023-09-08 — — CN disclosed
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