SCHEMBL9526661

SCHEMBL9526661

O=C1OC(CCCCC2=NC3(CCCCC3)C(=O)O2)=NC12CCCCC2

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL1131729 0.88 ACHE (0.39) ALDH1A1CYP3A4
SCHEMBL1841249 0.86 ALDH1A1 (0.36) ALDH1A1CYP3A4TSHRSMN1; SMN2
SCHEMBL19790062 0.81 ALDH1A1 (0.38) ALDH1A1CYP3A4TSHRSMN1; SMN2
SCHEMBL19790037 0.80 ALDH1A1 (0.37) ALDH1A1CYP3A4
SCHEMBL1838114 0.79 ALDH1A1 (0.39) ALDH1A1CYP3A4TSHR
SCHEMBL1837556 0.79 SMN1; SMN2 (0.36) ALDH1A1CYP3A4TSHRSMN1; SMN2
SCHEMBL13852751 0.76 ALDH1A1 (0.39) ALDH1A1CYP3A4
SCHEMBL1838842 0.76 ALDH1A1 (0.39) ALDH1A1CYP3A4TSHR
SCHEMBL1841614 0.76 KCNJ1 (0.33) ALDH1A1CYP3A4
SCHEMBL19795030 0.76 ALDH1A1 (0.33) ALDH1A1CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0185493-B1 IMIDAZOLINONE-CONTAINING POLYMERS AND COPOLYMERS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-07-28 EP disclosed
US-4785070-A THERMAL CYCLODEHYDRATION OF AN AZLACTONE OR 4,4-DISUBSTITUTED 2-OXAZOLIN-5-ONE AND DIAMINE; WATER SOLUBILITY MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-11-15 US disclosed
EP-0185493-A2 Imidazolinone-containing polymers and copolymers MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1986-06-25 EP disclosed