SCHEMBL23446365

SCHEMBL23446365

CNCCCCC(NC(=O)CN)C(C)=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 1/20 0.40
▸ SIRT6 Q8N6T7 1/20 0.38
▸ SIRT1 Q96EB6 1/20 0.38
▸ FOLH1 Q04609 2/20 0.34
▸ ALB P02768 1/20 0.34
▸ NMT2 O60551 1/20 0.33
▸ NMT1 P30419 1/20 0.33
▸ SLC15A2 Q16348 1/20 0.33
▸ SIRT5 Q9NXA8 2/20 0.33
▸ SLC6A5 Q9Y345 1/20 0.33
▸ NOD1 Q9Y239 2/20 0.32
▸ CPB2 Q96IY4 1/20 0.32
▸ TLR2 O60603 1/20 0.32
▸ GNPAT O15228 1/20 0.31
▸ PAOX Q6QHF9 2/20 0.31
▸ CTSC P53634 1/20 0.31
▸ EPHX2 P34913 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
SCHEMBL24235573 0.85 KISS1R (0.41) KISS1RSIRT6SIRT1FOLH1ALB
SCHEMBL2628438 0.84 NMT1 (0.49) SIRT6SIRT1FOLH1NMT2NMT1
SCHEMBL13271590 0.84 SIRT6 (0.44) SIRT6SIRT1FOLH1NMT2NMT1
SCHEMBL23447289 0.83 NOD1 (0.46) KISS1RNMT2NMT1SLC6A5NOD1
SCHEMBL17483652 0.83 KISS1R (0.40) KISS1RSIRT6SIRT1FOLH1ALB
SCHEMBL23447401 0.83 NMT1 (0.51) SIRT6SIRT1FOLH1NMT2NMT1
SCHEMBL2628439 0.83 SIRT6 (0.45) SIRT6SIRT1SLC6A5NOD1TLR2
SCHEMBL17526315 0.82 SIRT6 (0.45) KISS1RSIRT6SIRT1FOLH1ALB
SCHEMBL23446572 0.82 KISS1R (0.39) KISS1RSIRT6SIRT1FOLH1ALB
SCHEMBL18362334 0.81 KISS1R (0.43) KISS1RSIRT6SIRT1FOLH1ALB

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-2021104120-A1 POLYETHYLENE GLYCOL CONJUGATE MEDICAMENT, PREPARATION METHOD THERFOR AND USE THEREOF 重庆阿普格雷生物科技有限公司 2021-06-03 — — WO disclosed
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