SCHEMBL28001064

SCHEMBL28001064

CC(O)COCc1ccc(C(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.44
▸ KMT2A Q03164 4/20 0.43
▸ NR4A2 P43354 2/20 0.43
▸ RXRA P19793 1/20 0.43
▸ RXRB P28702 1/20 0.43
▸ RAB9A P51151 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TYR P14679 1/20 0.42
▸ CA1 P00915 3/20 0.41
▸ CA2 P00918 2/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ RECQL P46063 1/20 0.40
▸ CHRM3 P20309 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ NR4A1 P22736 1/20 0.39
▸ NR4A3 Q92570 1/20 0.39
▸ SMN1; SMN2 Q16637 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
SCHEMBL7933210 0.81 CA1 (0.46) KMT2ACA1CA2CA7CA9
SCHEMBL14866959 0.81 APP (0.42) APPKMT2ANR4A2RXRARXRB
SCHEMBL4367676 0.80 APP (0.55) APPKMT2ANR4A2RXRARXRB
SCHEMBL10202405 0.79 APP (0.41) APPKMT2ANR4A2RXRARXRB
SCHEMBL2405469 0.78 IDO1 (0.45) APPKMT2ARAB9ACA1CA2
SCHEMBL2405472 0.78 IDO1 (0.45) APPKMT2ARAB9ACA1CA2
SCHEMBL28775048 0.78 CYP3A4 (0.45) APPKMT2ACA1CA2CA7
SCHEMBL10973793 0.78 HTT (0.57) KMT2ARAB9ATSHRLMNACA1
SCHEMBL873616 0.77 CA1 (0.61) KMT2ATSHRLMNACA1CA2
SCHEMBL12172311 0.77 HSD17B10 (0.50) KMT2ARAB9ALMNACA1CA2

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
CN-104447792-A Substituted dihydro and tetrahydro oxazolopyrimidinones, preparation and use thereof SANOFI AVENTIS 2015-03-25 — — CN disclosed
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