SCHEMBL7202770

SCHEMBL7202770

CSc1ccc2[nH]c(C(=O)c3cc(C)ccn3)c(C(C)C(=O)O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.48
PTGS1 P23219 7/20 0.48
MAPT P10636 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
AKR1C3 P42330 3/20 0.37
AKR1C2 P52895 3/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GBA1 P04062 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 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
SCHEMBL6170712 0.89 PTGS2 (0.53) PTGS2PTGS1MAPTKDM4EALDH1A1
SCHEMBL6172560 0.85 PTGS2 (0.50) PTGS2PTGS1KDM4EGAATLR8
SCHEMBL6169271 0.85 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL6168891 0.84 PTGS2 (0.67) PTGS2PTGS1MAPTKDM4EALDH1A1
SCHEMBL6174674 0.84 PTGS2 (0.68) PTGS2PTGS1MAPTKDM4EALDH1A1
SCHEMBL6171838 0.84 PTGS2 (0.67) PTGS2PTGS1TLR8TLR7
SCHEMBL6171485 0.83 PTGS2 (0.56) PTGS2PTGS1MEN1KMT2ATLR8
SCHEMBL6172104 0.83 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL6171600 0.82 PTGS2 (0.58) PTGS2PTGS1MAPTMEN1KMT2A
SCHEMBL6171784 0.81 PTGS2 (0.69) PTGS2PTGS1KDM4EMEN1KMT2A

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
US-6608070-B1 Useful for treatment of medical condition in which prostaglandins are implicated as pathogens NAKAO KAZUNARI (JP) 2003-08-19 US disclosed