SCHEMBL4626539

SCHEMBL4626539

CC(NN1COc2ccccc21)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 4/20 0.41
NOTUM Q6P988 1/20 0.40
ALOX12 P18054 1/20 0.40
HSD17B3 P37058 1/20 0.38
TSHR P16473 2/20 0.37
HTT P42858 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
ADAMTS4 O75173 1/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
SLC22A12 Q96S37 1/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
THRB P10828 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
SCHEMBL4626535 1.00 P2RX4 (0.41) P2RX4NOTUMALOX12HSD17B3TSHR
SCHEMBL16095343 0.71 NOTUM (0.40) NOTUMHSD17B3ALDH1A1MAPT
SCHEMBL16095342 0.71 NOTUM (0.40) NOTUMHSD17B3ALDH1A1MAPT
SCHEMBL8177425 0.69 ABCG2 (0.37) P2RX4NOTUMHSD17B3TSHRHTT
SCHEMBL4444354 0.67 NOTUM (0.53) P2RX4NOTUMHSD17B3TSHRHTT
Acetic Acid SCHEMBL27604418 0.67 NOTUM (0.49) P2RX4NOTUMHSD17B3HTTALDH1A1
Hydrochloric Acid SCHEMBL23320556 0.66 NOTUM (0.51) P2RX4NOTUMHSD17B3TSHRHTT
Acetic Acid SCHEMBL5469518 0.66 NOTUM (0.47) P2RX4NOTUMHSD17B3HTTALDH1A1
SCHEMBL12660327 0.65 ABCG2 (0.39) P2RX4NOTUMALOX12HSD17B3TSHR
SCHEMBL17603549 0.65 NOTUM (0.49) NOTUMLMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1592801-A4 TANDEM ANALYSES OF NONCOVALENTLY DRIVEN EFFECTORS FOR MODULATORY MAPPING OF ACTIVITIES OF PROTEIN SITES ADVANCED PROTEOME THERAPEUTICS (US) 2008-04-30 EP claimed
EP-1592801-A2 TANDEM ANALYSES OF NONCOVALENTLY DRIVEN EFFECTORS FOR MODULATORY MAPPING OF ACTIVITIES OF PROTEIN SITES Advanced Proteome Therapeutics Inc. (US) 2005-11-09 EP claimed
WO-2004066917-A2 TANDEM ANALYSES OF NONCOVALENTLY DRIVEN EFFECTORS FOR MODULATORY MAPPING OF ACTIVITIES OF PROTEIN SITES ADVANCED PROTEOME THERAPEUTICS, INC (US) 2004-08-12 WO claimed
EP-1592801-A4 TANDEM ANALYSES OF NONCOVALENTLY DRIVEN EFFECTORS FOR MODULATORY MAPPING OF ACTIVITIES OF PROTEIN SITES ADVANCED PROTEOME THERAPEUTICS (US) 2008-04-30 EP disclosed
EP-1592801-A2 TANDEM ANALYSES OF NONCOVALENTLY DRIVEN EFFECTORS FOR MODULATORY MAPPING OF ACTIVITIES OF PROTEIN SITES Advanced Proteome Therapeutics Inc. (US) 2005-11-09 EP disclosed
WO-2004066917-A2 TANDEM ANALYSES OF NONCOVALENTLY DRIVEN EFFECTORS FOR MODULATORY MAPPING OF ACTIVITIES OF PROTEIN SITES ADVANCED PROTEOME THERAPEUTICS, INC (US) 2004-08-12 WO disclosed