SCHEMBL19216018

SCHEMBL19216018

CC(C)CCCCCCCCC(=O)OC1CC(C)(C)N(C)C(C)(C)C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
NAAA Q02083 2/20 0.40
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4C Q9H3R0 2/20 0.35
KDM4A O75164 1/20 0.35
PHF8 Q9UPP1 1/20 0.35
KDM2A Q9Y2K7 1/20 0.35
METAP1 P53582 1/20 0.35
TP53 P04637 1/20 0.34
EPHX2 P34913 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
PABPC1 P11940 1/20 0.32
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32

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
SCHEMBL28840529 0.90 NAAA (0.47) SMN1; SMN2NAAAMEN1GAAKMT2A
SCHEMBL30744 0.90 NAAA (0.47) SMN1; SMN2NAAAMEN1GAAKMT2A
SCHEMBL13508226 0.90 NAAA (0.47) SMN1; SMN2NAAAMEN1GAAKMT2A
SCHEMBL12244967 0.90 NAAA (0.47) SMN1; SMN2NAAAMEN1GAAKMT2A
SCHEMBL28367479 0.90 NAAA (0.47) SMN1; SMN2NAAAMEN1GAAKMT2A
SCHEMBL13226047 0.90 NAAA (0.47) SMN1; SMN2NAAAMEN1GAAKMT2A
SCHEMBL21127012 0.90 NAAA (0.47) SMN1; SMN2NAAAMEN1GAAKMT2A
Water SCHEMBL19542146 0.88 NAAA (0.46) SMN1; SMN2NAAAMEN1GAAKMT2A
Ammonia Solution, Strong SCHEMBL5629068 0.88 NAAA (0.46) SMN1; SMN2NAAAMEN1GAAKMT2A
SCHEMBL463020 0.88 SMN1; SMN2 (0.47) SMN1; SMN2NAAAMEN1GAAKMT2A

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
EP-3010950-B1 LOW EMISSION, STABILISED POLYURETHANE BASF SE (DE) 2017-08-09 EP disclosed