SCHEMBL29029436

SCHEMBL29029436

OCc1cc(Br)ccc1Oc1ccc(Br)cc1CO

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.61
MAPK1 P28482 3/20 0.52
ALDH1A1 P00352 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
NPC1 O15118 3/20 0.49
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
RAB9A P51151 2/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TSHR P16473 1/20 0.45
ALOX15 P16050 1/20 0.43
SLC6A4 P31645 5/20 0.41
SLC6A2 P23975 2/20 0.41

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
SCHEMBL1145684 0.83 PTGDR2 (0.57) PTGDR2ALDH1A1TDP1L3MBTL1LMNA
SCHEMBL9121402 0.83 PTGDR2 (0.67) PTGDR2MAPK1ALDH1A1NPC1LMNA
SCHEMBL14097989 0.82 PTGDR2 (0.49) PTGDR2MAPK1ALDH1A1TDP1L3MBTL1
SCHEMBL6410232 0.80 PTGDR2 (0.63) PTGDR2MAPK1ALDH1A1TDP1L3MBTL1
SCHEMBL13455069 0.80 PTGDR2 (0.63) PTGDR2MAPK1ALDH1A1NPC1LMNA
SCHEMBL16959585 0.79 PTGDR2 (0.53) PTGDR2MAPK1ALDH1A1TDP1L3MBTL1
SCHEMBL6408845 0.79 PTGDR2 (0.53) PTGDR2MAPK1ALDH1A1TDP1L3MBTL1
SCHEMBL3372357 0.79 PTGDR2 (0.53) PTGDR2MAPK1ALDH1A1TDP1L3MBTL1
SCHEMBL1849118 0.78 MAPK1 (0.52) PTGDR2MAPK1ALDH1A1TDP1L3MBTL1
SCHEMBL3484951 0.78 PTGDR2 (0.44) PTGDR2MAPK1ALDH1A1TDP1L3MBTL1

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
CN-109661387-B Composition for treating pulmonary fibrosis 维克图斯生物系统有限公司 2023-05-30 CN disclosed