SCHEMBL29050692

SCHEMBL29050692

CCCCCCCCCCC(=O)ON1CCC(OC(=O)OC2CCN(OC(=O)CCCCCCCCCC)C(C)(C)C2(C)C)C(C)(C)C1(C)C

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.43
DGKA P23743 1/20 0.36
PRKCA P17252 5/20 0.35
GNAI3 P08754 3/20 0.35
GNAO1 P09471 3/20 0.35
GNAI1 P63096 3/20 0.35
LMNA P02545 2/20 0.34
PAM P19021 1/20 0.33

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
SCHEMBL2063231 0.81 NAAA (0.45) NAAADGKAPRKCALMNA
SCHEMBL16146979 0.80 NAAA (0.33) NAAA
SCHEMBL28250528 0.78 NAAA (0.49) NAAADGKAPRKCAGNAI3GNAO1
SCHEMBL15569601 0.78 NAAA (0.49) NAAADGKAPRKCAGNAI3GNAO1
SCHEMBL5172974 0.78 NAAA (0.41) NAAAPRKCALMNA
SCHEMBL482830 0.72 SMN1; SMN2 (0.42) NAAA
SCHEMBL924940 0.68 SMN1; SMN2 (0.33) NAAA
SCHEMBL28015605 0.66 DGKA (0.53) NAAADGKALMNAPAM
SCHEMBL6129179 0.66 DGKA (0.53) NAAADGKALMNAPAM
SCHEMBL3263957 0.66 DGKA (0.53) NAAADGKALMNAPAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116583559-A Organic material-based molded article 巴斯夫欧洲公司 2023-08-11 CN disclosed