SCHEMBL9801981

SCHEMBL9801981

CCC(N)OCC(C)(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.38
MAPK1 P28482 1/20 0.36
KIF11 P52732 5/20 0.35
CYP2D6 P10635 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPY2R P49146 1/20 0.35
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
KCNN4 O15554 1/20 0.33
CYP1A2 P05177 1/20 0.33
TACR1 P25103 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.32
EPHX1 P07099 1/20 0.32

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
SCHEMBL9802148 0.81 TAAR1 (0.41) TAAR1MAPK1KIF11CYP2D6KMT2A
SCHEMBL5906803 0.72 MAPK1 (0.48) TAAR1MAPK1CYP2D6KMT2AMEN1
SCHEMBL9752682 0.72 KIF11 (0.42) TAAR1MAPK1KIF11KCNN4EPHX1
SCHEMBL11497301 0.71 MAPK1 (0.48) TAAR1MAPK1CYP2D6KMT2AMEN1
SCHEMBL28224667 0.70 MAPK1 (0.46) TAAR1MAPK1CYP2D6KMT2AMEN1
SCHEMBL1870654 0.69 SLC1A3 (0.49) TAAR1CYP2D6KMT2AMEN1CYP2C9
SCHEMBL28224391 0.69 SLC1A3 (0.49) TAAR1CYP2D6KMT2AMEN1CYP2C9
SCHEMBL28225058 0.69 SLC1A3 (0.49) TAAR1CYP2D6KMT2AMEN1CYP2C9
SCHEMBL460018 0.69 TAAR1 (0.65) TAAR1MAPK1KIF11CYP2D6KMT2A
SCHEMBL21211600 0.69 CA1 (0.39) MAPK1CYP2D6KMT2AALDH1A1ALOX15

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-0120466-B2 HEAT-CURABLE COATING COMPOSITION AND ITS USE BASF Lacke + Farben AG (DE) 1991-03-20 EP disclosed