SCHEMBL27987809

SCHEMBL27987809

O=C1OC2(CCCCC2)OC(=O)c2ccc1cc2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 17/20 0.47
HPGD P15428 4/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
KDM4E B2RXH2 5/20 0.45
PKM P14618 2/20 0.45
CRHBP P24387 2/20 0.45
CRHR2 Q13324 2/20 0.45
LMNA P02545 1/20 0.44
RECQL P46063 1/20 0.44
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 5/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 1/20 0.41
CYP1A2 P05177 1/20 0.40

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
SCHEMBL7129048 0.88 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1HPGDTDP1MEN1
SCHEMBL12254198 0.75 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A
SCHEMBL12511298 0.74 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A
SCHEMBL18815074 0.74 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A
SCHEMBL31217551 0.74 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1HPGDTDP1MEN1
SCHEMBL31217583 0.74 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1HPGDTDP1MEN1
SCHEMBL31217616 0.74 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1HPGDTDP1MEN1
SCHEMBL31217608 0.74 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1HPGDTDP1MEN1
SCHEMBL1336698 0.73 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1HPGDTDP1MEN1
SCHEMBL28347656 0.72 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1HPGDTDP1MEN1

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-104114528-A Amorphous, high glass transition temperature copolyester compositions, methods of manufacture, and articles thereof SAUDI BASIC IND CORP 2014-10-22 CN disclosed