SCHEMBL29466136

SCHEMBL29466136

COc1cc(Br)cc2c1O[C@@]1(C=C2)N(CCCI)c2ccccc2C1(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
GAA P10253 4/20 0.49
LMNA P02545 3/20 0.49
RECQL P46063 3/20 0.49
TDP1 Q9NUW8 3/20 0.49
THRB P10828 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
PLIN1 O60240 1/20 0.49
PKM P14618 1/20 0.49
TSHR P16473 1/20 0.49
PLIN5 Q00G26 1/20 0.49
ABHD5 Q8WTS1 1/20 0.49
NPSR1 Q6W5P4 2/20 0.38
ALPG P10696 1/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 2/20 0.30

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
SCHEMBL29466141 0.91 MAPT (0.56) MAPTGAALMNARECQLTDP1
SCHEMBL22637385 0.91 MAPT (0.56) MAPTGAALMNARECQLTDP1
SCHEMBL29808835 0.89 GAA (0.46) MAPTGAALMNARECQLTDP1
SCHEMBL8681590 0.88 MAPT (0.48) MAPTGAALMNARECQLTDP1
SCHEMBL22638052 0.86 MAPT (0.47) MAPTGAALMNARECQLTDP1
SCHEMBL8680969 0.84 MAPT (0.53) MAPTGAALMNARECQLTDP1
SCHEMBL8685162 0.81 MAPT (0.51) MAPTGAALMNARECQLTDP1
SCHEMBL22638027 0.79 GAA (0.52) MAPTGAALMNARECQLTDP1
SCHEMBL29466130 0.79 GAA (0.52) MAPTGAALMNARECQLTDP1
SCHEMBL8680108 0.79 MAPT (0.52) MAPTGAALMNARECQLTDP1

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-3963185-A1 THERMAL STORAGE MATERIALS AND APPLICATIONS THEREOF Brandeis University (US) 2022-03-09 EP disclosed