SCHEMBL6544165

SCHEMBL6544165

CC(C)(C)OC(=O)C(C)(C)Oc1cccc(CCNC2CCCCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.50
PPARA Q07869 4/20 0.45
PPARG P37231 3/20 0.45
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
POLB P06746 1/20 0.40
CACNA1B Q00975 1/20 0.40
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CXCR4 P61073 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
SCHEMBL6542960 0.88 TAAR1 (0.56) TAAR1PPARAPPARGALDH1A1KDM4E
SCHEMBL6543070 0.84 POLB (0.55) POLBRAB9ASMN1; SMN2
SCHEMBL6543060 0.77 PPARA (0.54) TAAR1PPARAPPARG
SCHEMBL12204184 0.76 ALDH1A1 (0.72) TAAR1ALDH1A1KDM4ECTSLCTSS
SCHEMBL2440291 0.76 PPARA (0.59) PPARAPPARG
SCHEMBL2439051 0.76 PPARA (0.53) PPARAPPARGTDP1
SCHEMBL787022 0.75 ALDH1A1 (0.74) TAAR1ALDH1A1KDM4EPOLB
SCHEMBL2438002 0.75 PPARA (0.58) TAAR1PPARAPPARG
SCHEMBL6542699 0.74 PPARA (0.44) PPARAPPARGHPGD
SCHEMBL1550516 0.73 PPARA (0.49) PPARAPPARG

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
EP-1433786-A1 Benzoxazole compound and pharmaceutical composition containing the compound Kowa Company Ltd. (JP) 2004-06-30 EP disclosed