SCHEMBL3662751

SCHEMBL3662751

COc1ccc(Br)c(CC(NC(=O)O)C(C)(C)C)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LDHA P00338 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
RXFP1 Q9HBX9 2/20 0.36
ALDH1A1 P00352 5/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ABL1 P00519 1/20 0.33
RIN1 Q13671 1/20 0.33
FPR2 P25090 1/20 0.33
RECQL P46063 1/20 0.33
POLB P06746 1/20 0.33
CYP1A2 P05177 2/20 0.33
MAPT P10636 2/20 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
SCHEMBL17229314 0.73 HTR2A (0.37) ALOX12
SCHEMBL3661611 0.71 MTNR1A (0.44) SMN1; SMN2POLBRAB9AKMT2A
SCHEMBL3754466 0.69 L3MBTL1 (0.36) LMNAL3MBTL1SMN1; SMN2ALDH1A1PKM
SCHEMBL17221218 0.69 ERN1 (0.40) LMNAL3MBTL1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL3975272 0.69 MME (0.51) LMNASMN1; SMN2FPR2POLBMEN1
SCHEMBL1869960 0.69 MME (0.51) LMNASMN1; SMN2FPR2POLBMEN1
SCHEMBL23888246 0.68 ALDH1A1 (0.42) L3MBTL1RXFP1ALDH1A1PKMKDM4E
SCHEMBL12312065 0.68 DRD2 (0.43)
SCHEMBL1934150 0.68 HTT (0.44) TAS1R3TAS1R1ALDH1A1GAAPKM
SCHEMBL17232489 0.67 NQO2 (0.39) LMNAL3MBTL1SMN1; SMN2ALDH1A1MAPK1

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-2222671-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) Glaxo Group Limited (GB) 2010-09-01 EP disclosed
WO-2009080728-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) GLAXO GROUP LIMITED (GB) 2009-07-02 WO disclosed