SCHEMBL9516752

SCHEMBL9516752

COC(=O)CCC[C@H](O)CC=O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
PABPC1 P11940 1/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
PPARG P37231 2/20 0.36
FPR2 P25090 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SLC1A1 P43005 1/20 0.34
PPARA Q07869 1/20 0.34
CA12 O43570 1/20 0.33
CA14 Q9ULX7 1/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL17409935 0.81 TSHR (0.50) TSHRL3MBTL1ALDH1A1LMNAFPR2
SCHEMBL29779769 0.81 L3MBTL1 (0.48) TSHRL3MBTL1ALDH1A1LMNAPABPC1
SCHEMBL29779773 0.81 L3MBTL1 (0.48) TSHRL3MBTL1ALDH1A1LMNAPABPC1
SCHEMBL27547594 0.79 TSHR (0.56) TSHRL3MBTL1ALDH1A1LMNAPABPC1
SCHEMBL9359473 0.79 TSHR (0.56) TSHRL3MBTL1ALDH1A1LMNAPABPC1
SCHEMBL17526434 0.77 L3MBTL1 (0.54) TSHRL3MBTL1LMNAPABPC1APOBEC3A
SCHEMBL17526818 0.77 L3MBTL1 (0.54) TSHRL3MBTL1LMNAPABPC1APOBEC3A
SCHEMBL12459737 0.77 TSHR (0.54) TSHRL3MBTL1ALDH1A1LMNAPABPC1
SCHEMBL6820469 0.77 L3MBTL1 (0.54) TSHRL3MBTL1ALDH1A1LMNAPABPC1
SCHEMBL8136448 0.76 TSHR (0.39) TSHRL3MBTL1ALDH1A1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0410241-B1 Aryl alkenoic acid derivatives as leukotriene antagonists BAYER AG (DE) 1993-10-20 EP disclosed
EP-0410241-A1 Aryl alkenoic acid derivatives as leukotriene antagonists BAYER AG (DE) 1991-01-30 EP disclosed