SCHEMBL24642437

SCHEMBL24642437

CCCN(CCC)CCCC[C@H](NO)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 5/20 0.41
▸ DRD2 P14416 1/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ KDM5A P29375 4/20 0.38
▸ ICMT O60725 1/20 0.37
▸ ALB P02768 1/20 0.37
▸ PHF8 Q9UPP1 2/20 0.36
▸ KDM4C Q9H3R0 2/20 0.36
▸ SLC6A5 Q9Y345 1/20 0.36
▸ GPR84 Q9NQS5 3/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ LCK P06239 1/20 0.34
▸ PPARD Q03181 1/20 0.34
▸ ZDHHC20 Q5W0Z9 1/20 0.34
▸ ZDHHC2 Q9UIJ5 1/20 0.34
▸ HDAC2 Q92769 1/20 0.33

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
SCHEMBL24642930 0.95 NOD1 (0.44) NOD1DRD2DRD4DRD3KDM5A
SCHEMBL24642627 0.94 DRD2 (0.37) NOD1DRD2DRD4DRD3KDM5A
SCHEMBL24642503 0.93 KDM5A (0.45) NOD1KDM5AICMTALBPHF8
SCHEMBL26497354 0.92 DRD2 (0.36) NOD1DRD2DRD4DRD3KDM5A
SCHEMBL24642523 0.90 NOD1 (0.40) NOD1DRD2DRD4DRD3KDM5A
SCHEMBL24642319 0.88 SIGMAR1 (0.43) NOD1KDM5AKDM4CSLC6A5
SCHEMBL24642377 0.86 DRD2 (0.40) NOD1DRD2DRD4DRD3KDM5A
SCHEMBL24642305 0.85 KDM5A (0.41) NOD1DRD2DRD4DRD3KDM5A
SCHEMBL26512684 0.83 ZDHHC7 (0.40) DRD2DRD4DRD3KDM5APHF8
SCHEMBL24642812 0.83 DRD2 (0.39) NOD1DRD2DRD4DRD3KDM5A

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-2022170971-A1 BIOACTIVE SUBSTANCE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF 苏州宜联生物医药有限公司 2022-08-18 — — WO disclosed
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