SCHEMBL19088598

SCHEMBL19088598

O=C(OCc1ccccc1)C(O)Cc1ccc(O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
LTA4H P09960 1/20 0.52
LAP3 P28838 1/20 0.52
TRPV1 Q8NER1 1/20 0.50
CA12 O43570 1/20 0.49
AKR1B10 O60218 1/20 0.49
AKR1B1 P15121 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA5A P35218 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
CA5B Q9Y2D0 1/20 0.49
ALDH1A1 P00352 3/20 0.49
FNTA P49354 1/20 0.49
FNTB P49356 1/20 0.49
KMT2A Q03164 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
SLC6A2 P23975 2/20 0.47

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
SCHEMBL4219709 0.93 ALDH1A1 (0.55) LMNALTA4HLAP3ALDH1A1KMT2A
SCHEMBL7046944 0.93 ALDH1A1 (0.55) LMNALTA4HLAP3ALDH1A1KMT2A
SCHEMBL262278 0.93 ALDH1A1 (0.55) LMNALTA4HLAP3ALDH1A1KMT2A
SCHEMBL23279460 0.87 PPARG (0.52) LMNALTA4HLAP3CA12CA7
SCHEMBL19088471 0.87 LTA4H (0.50) LTA4HLAP3ALDH1A1KMT2ATDP1
SCHEMBL7228873 0.87 PPARG (0.52) LMNALTA4HLAP3CA12CA7
SCHEMBL8953583 0.87 LTA4H (0.53) LTA4HLAP3ALDH1A1KMT2ATDP1
SCHEMBL18256456 0.87 LTA4H (0.50) LTA4HLAP3ALDH1A1KMT2ATDP1
SCHEMBL22502779 0.87 ALDH1A1 (0.50) LMNALTA4HLAP3ALDH1A1KMT2A
SCHEMBL18407490 0.87 ALDH1A1 (0.50) LMNALTA4HLAP3ALDH1A1KMT2A

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-3922639-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS Boehringer Ingelheim Animal Health USA Inc. (US) 2021-12-15 EP disclosed
EP-3298027-B1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2021-04-28 EP disclosed
WO-2017116702-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS MERIAL, INC. (US) 2017-07-06 WO disclosed