SCHEMBL9795162

SCHEMBL9795162

CC1(C)CC(=O)NC2CCCCC2N1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL11417677 1.00 ALDH1A1 (0.35) ALDH1A1PKMSMN1; SMN2
SCHEMBL10257226 1.00 ALDH1A1 (0.35) ALDH1A1PKMSMN1; SMN2
SCHEMBL11418869 1.00 ALDH1A1 (0.35) ALDH1A1PKMSMN1; SMN2
SCHEMBL11417678 1.00 ALDH1A1 (0.35) ALDH1A1PKMSMN1; SMN2
SCHEMBL19225194 0.98 ALDH1A1 (0.34) ALDH1A1PKMSMN1; SMN2
SCHEMBL794578 0.96 SMN1; SMN2 (0.35) ALDH1A1PKMSMN1; SMN2
SCHEMBL794577 0.96 SMN1; SMN2 (0.35) ALDH1A1PKMSMN1; SMN2
SCHEMBL15280164 0.76 ALDH1A1 (0.34) ALDH1A1PKM
SCHEMBL9795101 0.74 ALDH1A1 (0.33) ALDH1A1PKM
SCHEMBL10752789 0.72 ALDH1A1 (0.38) ALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5013836-A Process for methylating a hindered nitrogen atom in a polysubstituted diazacycloalkan-2-one THE B. F. GOODRICH COMPANY (US) 1991-05-07 US claimed
US-4207228-A POLYOLEFINS THE B. F. GOODRICH COMPANY (US) 1980-06-10 US claimed
EP-0001560-A2 UV-light-stabilized compositions containing substituted 1,5-diazacycloalkanes and 2-keto-1,5-diazacycloalkanes, novel compounds and synthesis thereof The B.F. GOODRICH Company (US) 1979-05-02 EP claimed
US-5013836-A Process for methylating a hindered nitrogen atom in a polysubstituted diazacycloalkan-2-one THE B. F. GOODRICH COMPANY (US) 1991-05-07 US disclosed
US-4207228-A POLYOLEFINS THE B. F. GOODRICH COMPANY (US) 1980-06-10 US disclosed
EP-0001560-A2 UV-light-stabilized compositions containing substituted 1,5-diazacycloalkanes and 2-keto-1,5-diazacycloalkanes, novel compounds and synthesis thereof The B.F. GOODRICH Company (US) 1979-05-02 EP disclosed