SCHEMBL29617625

SCHEMBL29617625

CCOC(=O)CC1CC(c2cccc(C#N)c2)CN(Cc2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 1/20 0.41
ELANE P08246 2/20 0.40
DRD3 P35462 4/20 0.39
DRD2 P14416 3/20 0.39
CYP2C9 P11712 1/20 0.39
S1PR5 Q9H228 3/20 0.38
S1PR1 P21453 2/20 0.38
PDGFRA P16234 1/20 0.38
USP30 Q70CQ3 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
CASP1 P29466 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CCR2 P41597 1/20 0.37
GRK5 P34947 1/20 0.37
CDK8 P49336 1/20 0.37

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
SCHEMBL29087745 1.00 CLPP (0.41) CLPPELANEDRD3DRD2CYP2C9
SCHEMBL29087757 1.00 CLPP (0.41) CLPPELANEDRD3DRD2CYP2C9
SCHEMBL29087702 0.88 PAX8 (0.44) S1PR5S1PR1PDGFRAALDH1A1KDM4E
SCHEMBL29087704 0.88 PAX8 (0.44) S1PR5S1PR1PDGFRAALDH1A1KDM4E
SCHEMBL29087688 0.88 CLPP (0.44) CLPPDRD3DRD2S1PR5S1PR1
SCHEMBL30646802 0.88 CLPP (0.44) CLPPDRD3DRD2S1PR5S1PR1
SCHEMBL29087684 0.88 CLPP (0.44) CLPPDRD3DRD2S1PR5S1PR1
SCHEMBL29617611 0.82 ALDH1A1 (0.39) S1PR5S1PR1ALDH1A1KDM4EPPARG
SCHEMBL29087746 0.82 ALDH1A1 (0.39) S1PR5S1PR1ALDH1A1KDM4EPPARG
SCHEMBL29087749 0.82 ALDH1A1 (0.39) S1PR5S1PR1ALDH1A1KDM4EPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4247374-A1 SMALL MOLECULE COMPOUNDS AND COMPOSITIONS Telo Therapeutics, Inc. (US) 2023-09-27 EP disclosed
WO-2022109209-A1 SMALL MOLECULE COMPOUNDS AND COMPOSITIONS TELO THERAPEUTICS, INC. (US) 2022-05-27 WO disclosed