SCHEMBL10553029

SCHEMBL10553029

CCCCOCCOC(=O)c1ccc2c(c1)C(=O)N(CCCCCCN1C(=O)c3ccc(C(=O)OCCOCCCC)cc3C1=O)C2=O

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.66
▸ MEN1 O00255 1/20 0.66
▸ KMT2A Q03164 1/20 0.66
▸ LMNA P02545 1/20 0.59
▸ CA12 O43570 3/20 0.50
▸ CA1 P00915 3/20 0.50
▸ CA2 P00918 3/20 0.50
▸ CA4 P22748 3/20 0.50
▸ CA9 Q16790 3/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ PKM P14618 1/20 0.49
▸ MAPK1 P28482 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ MAPT P10636 1/20 0.46

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 0.89 ALDH1A1 (0.70) ALDH1A1MEN1KMT2ALMNACA12
SCHEMBL10553025 0.81 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ALMNACA12
SCHEMBL28351279 0.80 CA12 (0.55) ALDH1A1MEN1KMT2ALMNACA12
SCHEMBL28351152 0.80 CA12 (0.55) ALDH1A1MEN1KMT2ALMNACA12
SCHEMBL13159367 0.79 ALDH1A1 (0.71) ALDH1A1MEN1KMT2ALMNACA12
SCHEMBL9616831 0.78 SMN1; SMN2 (0.57) ALDH1A1MEN1KMT2ALMNACA12
SCHEMBL28347403 0.77 SMN1; SMN2 (0.75) ALDH1A1MEN1KMT2ACA1CA2
SCHEMBL28350853 0.77 SMN1; SMN2 (0.75) ALDH1A1MEN1KMT2ACA1CA2
SCHEMBL10353400 0.77 SMN1; SMN2 (0.75) ALDH1A1MEN1KMT2ACA1CA2
SCHEMBL8344447 0.77 SMN1; SMN2 (0.75) ALDH1A1MEN1KMT2ACA1CA2

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
Send feedback