SCHEMBL29800007

SCHEMBL29800007

C=C(C)C(=O)OC(CCCCC)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.46
LMNA P02545 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
GRM8 O00222 2/20 0.43
GRM4 Q14833 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
HSP90AA1 P07900 1/20 0.40
ALDH1A1 P00352 3/20 0.40
HTT P42858 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CACNA1F O60840 1/20 0.40
CACNA1D Q01668 1/20 0.40
CACNA1S Q13698 1/20 0.40
CACNA1C Q13936 1/20 0.40

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
SCHEMBL343037 1.00 NPSR1 (0.46) NPSR1LMNACYP3A4CYP2D6CYP2C9
SCHEMBL11025490 0.87 ALDH1A1 (0.43) NPSR1LMNACYP3A4CYP2D6CYP2C9
SCHEMBL342683 0.83 NPSR1 (0.48) NPSR1LMNACYP3A4CYP2D6CYP2C9
SCHEMBL29799953 0.83 NPSR1 (0.48) NPSR1LMNACYP3A4CYP2D6CYP2C9
SCHEMBL27909025 0.81 ALDH1A1 (0.43) LMNASMN1; SMN2ALDH1A1
SCHEMBL1562513 0.80 ALDH1A1 (0.45) LMNASMN1; SMN2ALDH1A1
SCHEMBL6446367 0.80 ALDH1A1 (0.45) LMNASMN1; SMN2ALDH1A1
SCHEMBL4447340 0.80 ALDH1A1 (0.45) LMNASMN1; SMN2ALDH1A1
SCHEMBL11023520 0.78 ALDH1A1 (0.47) LMNASMN1; SMN2HPGDKMT2AALDH1A1
SCHEMBL8041633 0.78 TSHR (0.39) CYP3A4

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
WO-2022159099-A1 PRINTABLE MEDIA HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2022-07-28 WO disclosed