SCHEMBL29067911

SCHEMBL29067911

CCOC(=O)CC1CCC(=O)NC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
KMT2A Q03164 2/20 0.38
TSHR P16473 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP1A2 P05177 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
ABL1 P00519 1/20 0.37
RIN1 Q13671 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL23857686 0.85 PDE4A (0.41) POLBKMT2ATSHRCYP1A2SMN1; SMN2
SCHEMBL20821077 0.80 IRAK4 (0.33) TDP1
SCHEMBL2257497 0.80 KMT2A (0.41) POLBKMT2ATSHRCYP2D6CYP1A2
SCHEMBL18084131 0.80 IRAK4 (0.34)
SCHEMBL27313851 0.77 KMT2A (0.40) POLBKMT2ACYP2D6CYP1A2SMN1; SMN2
SCHEMBL4400125 0.76 POLB (0.45) POLBKMT2ATSHRCYP2D6CYP1A2
SCHEMBL16119357 0.76 SLC6A1 (0.32)
SCHEMBL8972820 0.75 ALDH1A1 (0.42) TSHRSMN1; SMN2ALDH1A1MAPT
SCHEMBL3745667 0.75 CYP1A2 (0.44) POLBKMT2ATSHRCYP2D6CYP1A2
SCHEMBL16233030 0.75 IRAK4 (0.37)

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
CN-116669727-A Triazole-pyridinyl substituted azacyclohexylacetic acid compounds as LPA receptor antagonists 唯久生物有限公司 2023-08-29 CN disclosed