SCHEMBL16693231

SCHEMBL16693231

C=CC(=O)OCCOC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.47
HPGD P15428 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 1/20 0.45
THRB P10828 1/20 0.45
KMT2A Q03164 1/20 0.45
RECQL P46063 1/20 0.44
CYP17A1 P05093 2/20 0.44
NAMPT P43490 2/20 0.44
NPC1 O15118 2/20 0.43
MAPK1 P28482 2/20 0.43
PKM P14618 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CASP1 P29466 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41

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
SCHEMBL16693288 0.86 CYP17A1 (0.49) THRBCYP17A1NAMPT
SCHEMBL16693255 0.84 CD274 (0.52) MAPTCYP17A1NAMPTMAPK1PKM
SCHEMBL16693226 0.82 CYP17A1 (0.49) RAB9AHPGDALDH1A1MAPTMEN1
SCHEMBL25736767 0.82 RAB9A (0.51) RAB9AHPGDALDH1A1MAPTMEN1
SCHEMBL26785235 0.81 RAB9A (0.48) RAB9AHPGDALDH1A1MAPTMEN1
SCHEMBL4143456 0.81 CYP17A1 (0.51) MEN1KMT2ACYP17A1NAMPTSMN1; SMN2
SCHEMBL23871236 0.80 PKM (0.49) RAB9AHPGDALDH1A1MAPTMEN1
SCHEMBL273218 0.80 PDK1 (0.60) RAB9AHPGDALDH1A1MAPTMEN1
SCHEMBL16693316 0.80 THRB (0.45) RAB9AHPGDALDH1A1MAPTMEN1
SCHEMBL4645538 0.79 TSHR (0.57) RAB9AHPGDALDH1A1THRBNPC1

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-2015064674-A1 METHOD FOR MANUFACTURING POLYMERIZABLE UV-ABSORBING DYE 興和株式会社 2015-05-07 WO disclosed