SCHEMBL28367479

SCHEMBL28367479

CN1C(C)(C)CC(OC(=O)CCCCCCCC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
EPHX2 P34913 3/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL12244967 1.00 NAAA (0.47) NAAASMN1; SMN2MEN1GAAKMT2A
SCHEMBL28840529 1.00 NAAA (0.47) NAAASMN1; SMN2MEN1GAAKMT2A
SCHEMBL21127012 1.00 NAAA (0.47) NAAASMN1; SMN2MEN1GAAKMT2A
SCHEMBL30744 1.00 NAAA (0.47) NAAASMN1; SMN2MEN1GAAKMT2A
SCHEMBL13226047 1.00 NAAA (0.47) NAAASMN1; SMN2MEN1GAAKMT2A
SCHEMBL13508226 1.00 NAAA (0.47) NAAASMN1; SMN2MEN1GAAKMT2A
Water SCHEMBL19542146 0.98 NAAA (0.46) NAAASMN1; SMN2MEN1GAAKMT2A
Ammonia Solution, Strong SCHEMBL5629068 0.98 NAAA (0.46) NAAASMN1; SMN2MEN1GAAKMT2A
SCHEMBL463020 0.98 SMN1; SMN2 (0.47) NAAASMN1; SMN2MEN1GAAKMT2A
SCHEMBL223756 0.95 NAAA (0.44) NAAASMN1; SMN2MEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110878033-B Functional color reducing agent and method for stabilizing color number of diisocyanate product 万华化学集团股份有限公司 2022-04-22 CN claimed
CN-110878033-A Functional color reducing agent and method for stabilizing color number of diisocyanate product 万华化学集团股份有限公司 2020-03-13 CN claimed
CN-110878033-B Functional color reducing agent and method for stabilizing color number of diisocyanate product 万华化学集团股份有限公司 2022-04-22 CN disclosed
CN-110878033-A Functional color reducing agent and method for stabilizing color number of diisocyanate product 万华化学集团股份有限公司 2020-03-13 CN disclosed