SCHEMBL24201420

SCHEMBL24201420

CC(C)CC(=O)N1CC2=CCCC=C2/C=C\c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 5/20 0.40
P2RX1 P51575 3/20 0.38
P2RX3 P56373 3/20 0.38
P2RX7 Q99572 2/20 0.38
PTBP1 P26599 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
XIAP P98170 8/20 0.36
CYP3A4 P08684 5/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
USP2 O75604 1/20 0.34

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
SCHEMBL26811011 0.84 P2RX4 (0.39) P2RX4P2RX1P2RX3P2RX7PTBP1
SCHEMBL18995818 0.83 TSHR (0.37) P2RX4P2RX1P2RX3P2RX7PTBP1
SCHEMBL21396386 0.80 HSD17B3 (0.50) P2RX4P2RX1P2RX3P2RX7PTBP1
SCHEMBL25841004 0.74 NOTUM (0.35) ALDH1A1USP2
SCHEMBL21769357 0.72 HTR1A (0.33) P2RX4P2RX1P2RX3P2RX7PTBP1
SCHEMBL26067091 0.70 L3MBTL1 (0.33) GAAL3MBTL1
SCHEMBL24794809 0.69 HSD17B3 (0.47) P2RX4P2RX1P2RX3P2RX7PTBP1
SCHEMBL24201458 0.69 LMNA (0.33) P2RX4P2RX1P2RX3
SCHEMBL24201462 0.67 P2RX4 (0.36) P2RX4P2RX1P2RX3P2RX7PTBP1
SCHEMBL19779923 0.65 SMN1; SMN2 (0.55) P2RX4P2RX1P2RX3P2RX7PTBP1

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
EP-3940000-A1 CARRAGEENAN DERIVATIVE, PROBE FOR LABELLING MACROPHAGES, AND METHOD FOR PREPARING SAME Korea University Research and Business Foundation (KR) 2022-01-19 EP disclosed