SCHEMBL6531313

SCHEMBL6531313

COc1ccc(OC(=O)C(N)(Cc2ccc(OCCN3CCCc4ccccc43)cc2)C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
TSHR P16473 4/20 0.48
ALDH1A1 P00352 5/20 0.46
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PDE4B Q07343 1/20 0.41
PDE4D Q08499 1/20 0.41
HPGD P15428 2/20 0.41
POLB P06746 1/20 0.41
CHRM2 P08172 4/20 0.40
CHRM4 P08173 4/20 0.40
CHRM1 P11229 4/20 0.40
CHRM3 P20309 4/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
TRPV1 Q8NER1 1/20 0.40

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
SCHEMBL11788007 0.80 TSHR (0.60) MAPTTSHRALDH1A1GAAKDM4E
SCHEMBL7111084 0.78 PPARG (0.46) MAPTTSHRALDH1A1GAARAB9A
SCHEMBL7111821 0.78 PPARG (0.46) MAPTTSHRALDH1A1GAARAB9A
SCHEMBL7107216 0.78 TSHR (0.48) MAPTTSHRALDH1A1GAARAB9A
SCHEMBL7105914 0.76 ALDH1A1 (0.47) MAPTTSHRALDH1A1GAARAB9A
SCHEMBL7196291 0.76 TSHR (0.45) MAPTTSHRALDH1A1KDM4EHTT
SCHEMBL5438445 0.75 MAPT (0.46) MAPTTSHRALDH1A1GAAKDM4E
SCHEMBL7035980 0.74 PPARG (0.61) MAPTTSHRALDH1A1HPGDPOLB
SCHEMBL11787640 0.74 ALDH1A1 (0.58) MAPTTSHRALDH1A1RAB9AHPGD
SCHEMBL11787186 0.74 LTA4H (0.59) TSHRALDH1A1

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
WO-2005049589-A2 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF HYPERLIPIDEMIA, DIABETES, OBESITY AND SIMILAR DISEASES CADILA HEALTHCARE LIMITED (IN) 2005-06-02 WO disclosed