SCHEMBL5377010

SCHEMBL5377010

CCCc1c(C=C(CC)C(=O)O)cnn1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.42
TBXAS1 P24557 2/20 0.40
ALDH1A1 P00352 2/20 0.38
AGTR1 P30556 1/20 0.38
TSHR P16473 1/20 0.37
HSD11B1 P28845 1/20 0.37
PTGS1 P23219 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL5377221 0.82 CYP19A1 (0.43) TBXAS1ALDH1A1TSHRPTGS1SMN1; SMN2
SCHEMBL5377123 0.81 TSHR (0.43) MAPK14ALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL6593855 0.81 SMN1; SMN2 (0.48) MAPK14ALDH1A1TSHRPTGS1SMN1; SMN2
SCHEMBL6593864 0.81 SMN1; SMN2 (0.48) MAPK14ALDH1A1TSHRPTGS1SMN1; SMN2
SCHEMBL5377004 0.76 NPC1 (0.47) MAPK14ALDH1A1PTGS1SMN1; SMN2MAPK1
SCHEMBL23400358 0.74 TSHR (0.46) MAPK14ALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL5380666 0.71 TSHR (0.44) MAPK14ALDH1A1TSHRRECQL
SCHEMBL5382860 0.71 SMN1; SMN2 (0.58) MAPK14ALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL7592930 0.69 ALDH1A1 (0.52) MAPK14ALDH1A1TSHRLMNAMAPK1
SCHEMBL5377146 0.68 LTB4R (0.44) TBXAS1ALDH1A1TSHRSMN1; SMN2LMNA

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-7179823-B1 5-membered n-heterocyclic compounds with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-20 US disclosed