SCHEMBL5794909

SCHEMBL5794909

CN(C)c1ccc(CC(CO)CO)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.52
ALDH1A1 P00352 7/20 0.52
TSHR P16473 4/20 0.52
CYP3A4 P08684 3/20 0.52
MAPK1 P28482 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
ALOX15 P16050 3/20 0.46
HSD17B10 Q99714 1/20 0.46
KMT2A Q03164 1/20 0.43
ACACB O00763 1/20 0.43
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
SLC2A1 P11166 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TP53 P04637 1/20 0.38
CALM1 P0DP23 1/20 0.38
HBB P68871 1/20 0.38
TRPA1 O75762 1/20 0.37

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
SCHEMBL21183309 0.83 APP (0.38) APPALDH1A1CYP3A4TDP1ALOX15
SCHEMBL19996093 0.82 ALDH1A1 (0.50) APPALDH1A1TSHRCYP3A4MAPK1
SCHEMBL20014274 0.82 ALDH1A1 (0.50) APPALDH1A1TSHRCYP3A4MAPK1
SCHEMBL19038363 0.79 APP (0.37) APPALDH1A1TSHRACACBTRPA1
SCHEMBL8720901 0.76 KMT2A (0.47) APPALDH1A1TSHRCYP3A4TDP1
SCHEMBL17736164 0.76 IDO1 (0.42) TDP1ACACBTRPA1
SCHEMBL8244501 0.76 ALDH1A1 (0.58) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL10632743 0.75 ALDH1A1 (0.52) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL165131 0.75 ALDH1A1 (0.64) APPALDH1A1TSHRCYP3A4MAPK1
SCHEMBL19003674 0.75 ALDH1A1 (0.49) APPALDH1A1TSHRCYP3A4MAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006007209-A2 PRESSURE AND TEMPERATURE SENSITIVE MATERIAL LEATECH, LLC (US) 2006-01-19 WO disclosed
US-20050288475-A1 Pressure and temperature sensitive material LEATECH LLC 2005-12-29 US disclosed