SCHEMBL7558085

SCHEMBL7558085

CCON[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.67
ACE P12821 3/20 0.62
SMN1; SMN2 Q16637 1/20 0.61
POLB P06746 2/20 0.60
KDM4E B2RXH2 1/20 0.60
APAF1 O14727 1/20 0.60
MAPT P10636 1/20 0.60
RECQL P46063 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
ITGB2 P05107 1/20 0.60
ICAM1 P05362 1/20 0.60
ITGAL P20701 1/20 0.60
KMT2A Q03164 1/20 0.59
ALDH1A1 P00352 1/20 0.58
ECE1 P42892 3/20 0.57
P2RY14 Q15391 1/20 0.57
TP53 P04637 1/20 0.57
MMP2 P08253 2/20 0.57
MMP9 P14780 2/20 0.57

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
SCHEMBL7558077 1.00 ALOX15 (0.67) ALOX15ACESMN1; SMN2POLBKDM4E
SCHEMBL231803 0.87 ALOX15 (0.66) ALOX15ACESMN1; SMN2POLBKDM4E
SCHEMBL231804 0.87 ALOX15 (0.66) ALOX15ACESMN1; SMN2POLBKDM4E
SCHEMBL5379545 0.86 ALOX15 (0.59) ALOX15ACESMN1; SMN2ITGB2ICAM1
SCHEMBL5379543 0.86 ALOX15 (0.59) ALOX15ACESMN1; SMN2ITGB2ICAM1
SCHEMBL29063383 0.85 ALOX15 (0.63) ALOX15ACESMN1; SMN2POLBKDM4E
SCHEMBL28200409 0.85 ALOX15 (0.63) ALOX15ACESMN1; SMN2POLBKDM4E
SCHEMBL27851269 0.85 ALOX15 (0.63) ALOX15ACESMN1; SMN2POLBKDM4E
SCHEMBL31210300 0.85 ALOX15 (0.67) ALOX15ACESMN1; SMN2POLBKDM4E
SCHEMBL28926747 0.84 ALOX15 (0.57) ALOX15ACESMN1; SMN2POLBKDM4E

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
WO-2002069927-A1 COMPOSITIONS COMPRISING MELATONIN AND VITAMIN A ASAT AG APPLIED SCIENCE & TECHNOLOGY (CH) 2002-09-12 WO disclosed