SCHEMBL8323846

SCHEMBL8323846

NC1(C(=O)O)CCCC1C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
FABP7 O15540 1/20 0.43
FABP5 Q01469 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP2C19 P33261 1/20 0.43
FKBP1A P62942 4/20 0.43
ALDH1A1 P00352 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 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
SCHEMBL6380145 0.96 FKBP1A (0.47) TSHRFABP7FABP5SMN1; SMN2CYP2C19
SCHEMBL30852824 0.93 TSHR (0.45) TSHRFABP7FABP5SMN1; SMN2CYP2C19
SCHEMBL2392378 0.85 TSHR (0.46) TSHRFABP7FABP5SMN1; SMN2CYP2C19
SCHEMBL29845766 0.84 FKBP1A (0.47) TSHRFABP7FABP5SMN1; SMN2CYP2C19
Hydrochloric Acid SCHEMBL6543330 0.83 TSHR (0.48) TSHRFABP7FABP5SMN1; SMN2CYP2C19
SCHEMBL29845815 0.83 FKBP1A (0.46) TSHRFABP7FABP5SMN1; SMN2CYP2C19
SCHEMBL27868267 0.81 TSHR (0.43) TSHRFABP7FABP5SMN1; SMN2CYP2C19
SCHEMBL28126888 0.80 FKBP1A (0.43) TSHRFABP7FABP5SMN1; SMN2CYP2C19
SCHEMBL27660459 0.80 FABP7 (0.47) TSHRFABP7FABP5SMN1; SMN2CYP2C19
SCHEMBL6380142 0.79 FKBP1A (0.43) TSHRFABP7FABP5SMN1; SMN2CYP2C19

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
US-5925624-A ANTIINFLAMMATORY AGENTS TREATING PATIENTS WITH INFLAMMATORY CONDITIONS SUSCEPTIBLE TO LEUKOCYTE-INDUCED TISSUE DAMAGE GLAXO GROUP LIMITED (GB) 1999-07-20 US disclosed
US-5889178-A N-(2,2-DIPHENYLETHYL)-DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-03-30 US disclosed