SCHEMBL4963997

SCHEMBL4963997

C[C@](N)(C(=O)O)c1cccc2c1ccc1ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 3/20 0.45
KDM4E B2RXH2 2/20 0.45
HPRT1 P00492 2/20 0.44
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 1/20 0.40
PPARD Q03181 1/20 0.40
NR4A1 P22736 1/20 0.40
NR4A2 P43354 1/20 0.40
NR4A3 Q92570 1/20 0.40
ACP3 P15309 1/20 0.39
TDP1 Q9NUW8 3/20 0.39
TSHR P16473 2/20 0.39
GLA P06280 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL146376 0.90 KDM4E (0.50) ALDH1A1HSD17B10KDM4EPPARGPPARA
SCHEMBL29608063 0.90 KDM4E (0.50) ALDH1A1HSD17B10KDM4EPPARGPPARA
SCHEMBL288855 0.90 KDM4E (0.50) ALDH1A1HSD17B10KDM4EPPARGPPARA
SCHEMBL198219 0.90 KDM4E (0.50) ALDH1A1HSD17B10KDM4EPPARGPPARA
SCHEMBL15023884 0.79 ALDH1A1 (0.44) ALDH1A1HSD17B10KDM4EMAPTHPGD
SCHEMBL29643354 0.78 PRNP (0.41) ALDH1A1HSD17B10KDM4ECYP2C19MEN1
SCHEMBL28581258 0.78 PRNP (0.41) ALDH1A1HSD17B10KDM4ECYP2C19MEN1
SCHEMBL27165013 0.76 KDM4E (0.39) ALDH1A1HSD17B10KDM4EMAPTHPGD
SCHEMBL7287554 0.76 KDM4E (0.53) ALDH1A1HSD17B10KDM4EHPGDPPARG
SCHEMBL17545257 0.76 CYP1A2 (0.48) ALDH1A1HSD17B10KDM4EMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1891106-A2 NOVEL COMPOUNDS AS GLP-I AGONISTS CADILA HEALTHCARE LTD. (IN) 2008-02-27 EP claimed
WO-2007017892-A2 NOVEL COMPOUNDS AS GLP-I AGONISTS CADILA HEALTHCARE LIMITED (IN) 2007-02-15 WO claimed
EP-1891106-A2 NOVEL COMPOUNDS AS GLP-I AGONISTS CADILA HEALTHCARE LTD. (IN) 2008-02-27 EP disclosed
WO-2007017892-A2 NOVEL COMPOUNDS AS GLP-I AGONISTS CADILA HEALTHCARE LIMITED (IN) 2007-02-15 WO disclosed