SCHEMBL24235491

SCHEMBL24235491

CNCC(=O)NC(CCCCNC(C)C)C(C)=O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 1/20 0.34
▸ NOD1 Q9Y239 1/20 0.33
▸ ITGB3 P05106 2/20 0.32
▸ ITGA2B P08514 2/20 0.32
▸ FOLH1 Q04609 2/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ SIRT6 Q8N6T7 1/20 0.31
▸ SIRT1 Q96EB6 1/20 0.31
▸ ALB P02768 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 0.87 KISS1R (0.41) KISS1RNOD1FOLH1SIRT6SIRT1
SCHEMBL16234087 0.83 FOLH1 (0.48) FOLH1KDM4ESIRT6SIRT1ALB
SCHEMBL26053493 0.82 FOLH1 (0.38) NOD1FOLH1KDM4EALDH1A1SIRT6
SCHEMBL20235715 0.81 FOLH1 (0.46) FOLH1KDM4ESIRT6SIRT1ALB
SCHEMBL17642082 0.80 KISS1R (0.36) KISS1RITGB3ITGA2BFOLH1KDM4E
SCHEMBL15315080 0.80 KISS1R (0.36) KISS1RITGB3ITGA2BFOLH1KDM4E
SCHEMBL23446511 0.80 SLC6A5 (0.44) ITGB3ITGA2BFOLH1SIRT6SIRT1
SCHEMBL16234108 0.80 SLC6A5 (0.44) ITGB3ITGA2BFOLH1SIRT6SIRT1
SCHEMBL14932570 0.79 FOLH1 (0.45) FOLH1KDM4ESIRT6SIRT1ALB
SCHEMBL24235542 0.79 NOD1 (0.41) NOD1SIRT6SIRT1

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-2022022360-A1 POLYETHYLENE GLYCOL CONJUGATE DRUG, AND PREPARATION METHOD THERFOR AND USE THEREOF 重庆阿普格雷生物科技有限公司 2022-02-03 — — WO disclosed
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