SCHEMBL11416260

SCHEMBL11416260

CCCCCCCCCC(=O)OC1CCC(C2CCC(C#N)CC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 2/20 0.61
▸ LMNA P02545 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ DGKA P23743 1/20 0.39
▸ PRKCA P17252 6/20 0.39

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
SCHEMBL11414133 1.00 NAAA (0.61) NAAALMNASMN1; SMN2DGKAPRKCA
SCHEMBL11410996 1.00 NAAA (0.61) NAAALMNASMN1; SMN2DGKAPRKCA
SCHEMBL11403214 1.00 NAAA (0.61) NAAALMNASMN1; SMN2DGKAPRKCA
SCHEMBL11416192 0.99 NAAA (0.59) NAAALMNASMN1; SMN2DGKAPRKCA
SCHEMBL11406577 0.94 NAAA (0.53) NAAALMNASMN1; SMN2PRKCA
SCHEMBL11410127 0.88 NAAA (0.44) NAAASMN1; SMN2
SCHEMBL30915389 0.83 NAAA (0.86) NAAALMNASMN1; SMN2DGKAPRKCA
SCHEMBL28454438 0.83 NAAA (0.86) NAAALMNASMN1; SMN2DGKAPRKCA
SCHEMBL16046795 0.83 NAAA (0.86) NAAALMNASMN1; SMN2DGKAPRKCA
SCHEMBL28110502 0.83 NAAA (0.86) NAAALMNASMN1; SMN2DGKAPRKCA

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-4181625-A CARBONITRILES, DIELECTRICS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1980-01-01 — — US claimed
US-4181625-A CARBONITRILES, DIELECTRICS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1980-01-01 — — US disclosed
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