SCHEMBL1870800

SCHEMBL1870800

[CH2]c1nc(-c2ccc(C)s2)oc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
KDM4E B2RXH2 7/20 0.42
LMNA P02545 4/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTR2A P28223 1/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 2/20 0.38
HSD17B10 Q99714 2/20 0.38
GFER P55789 1/20 0.38
THRB P10828 1/20 0.36
RECQL P46063 1/20 0.36
PGR P06401 1/20 0.36
PTGS1 P23219 2/20 0.36
PTGS2 P35354 2/20 0.36
PPARG P37231 3/20 0.35
GPR119 Q8TDV5 3/20 0.34
PPARA Q07869 2/20 0.34
TP53 P04637 1/20 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
SCHEMBL13633786 0.81 ALDH1A1 (0.46) ALDH1A1KDM4ELMNAGAAMEN1
SCHEMBL13633776 0.75 ALDH1A1 (0.54) ALDH1A1KDM4ELMNAGAAMEN1
SCHEMBL5476168 0.74 ALDH1A1 (0.53) ALDH1A1KDM4ELMNAGAAMEN1
SCHEMBL14439025 0.74 ALDH1A1 (0.53) ALDH1A1KDM4ELMNAGAAMEN1
SCHEMBL5123808 0.71 ALDH1A1 (0.51) ALDH1A1KDM4ELMNAGAAMEN1
SCHEMBL12618444 0.71 HDAC4 (0.43) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL5109589 0.69 KDM4E (0.62) ALDH1A1KDM4ELMNAGAAMEN1
SCHEMBL3758086 0.69 KDM4E (0.51) ALDH1A1KDM4EGAANPC1HPGD
SCHEMBL14864788 0.69 ALDH1A1 (0.36) ALDH1A1KDM4ELMNAGAAMEN1
SCHEMBL19135713 0.69 PGR (0.42) ALDH1A1KDM4ELMNAGAAMEN1

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
WO-2011051961-A1 COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND RELATED DISEASES CADILA HEALTHCARE LIMITED (IN) 2011-05-05 WO disclosed
CN-1471517-A OXAZOLYL-arylpropionic acid derivatives and their sue as PPAR agonists 2004-01-28 CN disclosed