SCHEMBL10553025

SCHEMBL10553025

CCCCOC(C)OC(=O)c1ccc2c(c1)C(=O)N(CCCCCCN1C(=O)c3ccc(C(=O)OC(C)OCCCC)cc3C1=O)C2=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ LMNA P02545 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ CA12 O43570 3/20 0.47
▸ CA1 P00915 3/20 0.47
▸ CA2 P00918 3/20 0.47
▸ CA4 P22748 3/20 0.47
▸ CA9 Q16790 3/20 0.47
▸ TSHR P16473 1/20 0.47
▸ HSD17B10 Q99714 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ CASP1 P29466 1/20 0.45
▸ CASP7 P55210 1/20 0.45
▸ MAPK1 P28482 3/20 0.44
▸ USP2 O75604 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43

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
SCHEMBL9616828 0.81 ALDH1A1 (0.70) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL10553029 0.81 ALDH1A1 (0.66) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL13159367 0.78 ALDH1A1 (0.71) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL16278864 0.77 TSHR (0.55) ALDH1A1KMT2ALMNASMN1; SMN2CA12
SCHEMBL9616831 0.77 SMN1; SMN2 (0.57) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL28350853 0.76 SMN1; SMN2 (0.75) ALDH1A1MEN1KMT2ASMN1; SMN2CA1
SCHEMBL28347403 0.76 SMN1; SMN2 (0.75) ALDH1A1MEN1KMT2ASMN1; SMN2CA1
SCHEMBL8344447 0.76 SMN1; SMN2 (0.75) ALDH1A1MEN1KMT2ASMN1; SMN2CA1
SCHEMBL10353400 0.76 SMN1; SMN2 (0.75) ALDH1A1MEN1KMT2ASMN1; SMN2CA1
SCHEMBL17798304 0.76 TSHR (0.46) LMNASMN1; SMN2CA12CA1CA2

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
US-4880860-A NUCLEATION, BLENDS, CRYSTALLIZATION PROMOTERS HOECHST AKTIENGESELLSCHAFT (DE) 1989-11-14 — — US disclosed
EP-0247427-A2 Polyester moulding composition, method for its preparation and its use HOECHST AKTIENGESELLSCHAFT (DE) 1987-12-02 — — EP disclosed
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