SCHEMBL11410127

SCHEMBL11410127

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

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CYP19A1 P11511 2/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ TSHR P16473 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
SCHEMBL11406577 0.91 NAAA (0.53) NAAAALDH1A1SMN1; SMN2
SCHEMBL11416192 0.90 NAAA (0.59) NAAASMN1; SMN2
SCHEMBL11416260 0.88 NAAA (0.61) NAAASMN1; SMN2
SCHEMBL11410996 0.88 NAAA (0.61) NAAASMN1; SMN2
SCHEMBL11414133 0.88 NAAA (0.61) NAAASMN1; SMN2
SCHEMBL11403214 0.88 NAAA (0.61) NAAASMN1; SMN2
SCHEMBL11404161 0.87 NAAA (0.36) NAAASMN1; SMN2CYP19A1
SCHEMBL10929265 0.87 NAAA (0.55) NAAAALDH1A1SMN1; SMN2CYP19A1GAA
SCHEMBL10929263 0.87 NAAA (0.55) NAAAALDH1A1SMN1; SMN2CYP19A1GAA
SCHEMBL8690677 0.81 — —

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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