SCHEMBL11416192

SCHEMBL11416192

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

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 2/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ LMNA P02545 2/20 0.38
▸ DGKA P23743 1/20 0.37
▸ PRKCA P17252 5/20 0.36

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
SCHEMBL11403214 0.99 NAAA (0.61) NAAASMN1; SMN2LMNADGKAPRKCA
SCHEMBL11414133 0.99 NAAA (0.61) NAAASMN1; SMN2LMNADGKAPRKCA
SCHEMBL11416260 0.99 NAAA (0.61) NAAASMN1; SMN2LMNADGKAPRKCA
SCHEMBL11410996 0.99 NAAA (0.61) NAAASMN1; SMN2LMNADGKAPRKCA
SCHEMBL11406577 0.96 NAAA (0.53) NAAASMN1; SMN2LMNAPRKCA
SCHEMBL11410127 0.90 NAAA (0.44) NAAASMN1; SMN2
SCHEMBL11404161 0.83 NAAA (0.36) NAAASMN1; SMN2
SCHEMBL4978268 0.83 NAAA (0.82) NAAASMN1; SMN2LMNADGKAPRKCA
SCHEMBL30915389 0.81 NAAA (0.86) NAAASMN1; SMN2LMNADGKAPRKCA
SCHEMBL28454438 0.81 NAAA (0.86) NAAASMN1; SMN2LMNADGKAPRKCA

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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