SCHEMBL6535281

SCHEMBL6535281

C=C(C)Oc1ccc(C(=O)O)cc1OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
PTGER1 P34995 3/20 0.53
MRGPRX4 Q96LA9 5/20 0.52
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
HPGD P15428 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
TSHR P16473 1/20 0.51
RXRA P19793 3/20 0.51
RXRB P28702 2/20 0.51
RXRG P48443 2/20 0.51
NR4A2 P43354 2/20 0.50
NR4A1 P22736 1/20 0.50
NR4A3 Q92570 1/20 0.50

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
SCHEMBL3960362 0.88 SMN1; SMN2 (0.52) SMPD1HDAC1HDAC8HDAC6RAB9A
SCHEMBL1600077 0.85 MRGPRX4 (0.62) SMPD1HDAC1HDAC8HDAC6PTGER1
SCHEMBL29556736 0.85 MRGPRX4 (0.62) SMPD1HDAC1HDAC8HDAC6PTGER1
Hydrochloric Acid SCHEMBL10857748 0.84 MRGPRX4 (0.61) SMPD1HDAC1HDAC8HDAC6PTGER1
SCHEMBL7291245 0.83 RAB9A (0.67) SMPD1HDAC1HDAC8HDAC6MRGPRX4
SCHEMBL29375753 0.83 SMPD1 (0.75) SMPD1HDAC1HDAC8HDAC6MRGPRX4
SCHEMBL1029034 0.83 SMPD1 (0.75) SMPD1HDAC1HDAC8HDAC6MRGPRX4
SCHEMBL11271923 0.82 SMPD1 (0.73) SMPD1HDAC1HDAC8HDAC6MRGPRX4
Hydrochloric Acid SCHEMBL6586504 0.82 SMPD1 (0.73) SMPD1HDAC1HDAC8HDAC6MRGPRX4
SCHEMBL4280782 0.82 MRGPRX4 (0.74) SMPD1HDAC1HDAC8HDAC6PTGER1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1115738-A4 SYNTHESIS OF CYCLIC PEPTIDES UNIV QUEENSLAND (AU) 2004-09-01 EP disclosed
EP-1115738-A1 SYNTHESIS OF CYCLIC PEPTIDES THE UNIVERSITY OF QUEENSLAND (AU) 2001-07-18 EP disclosed
WO-2000018790-A1 SYNTHESIS OF CYCLIC PEPTIDES THE UNIVERSITY OF QUEENSLAND (AU) 2000-04-06 WO disclosed