SCHEMBL7994479

SCHEMBL7994479

CCOc1ccc(C(N)CC(=O)NC(=O)c2ccc(OC)cc2)cc1OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
MAPK1 P28482 2/20 0.46
TSHR P16473 2/20 0.46
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
LMNA P02545 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL8863111 0.89 NPSR1 (0.55) MAPTALDH1A1NPSR1LMNASMN1; SMN2
SCHEMBL7994381 0.88 NPSR1 (0.46) MAPTTAS1R3TAS1R1ALDH1A1KDM4E
SCHEMBL7876429 0.81 NPSR1 (0.57) MAPTMAPK1TSHRTAS1R3TAS1R1
SCHEMBL825343 0.78 SMN1; SMN2 (0.49) MAPTMAPK1ALDH1A1KDM4ENPC1
SCHEMBL7867528 0.78 KMT2A (0.62) MAPTMAPK1TSHRTAS1R3TAS1R1
SCHEMBL7867554 0.78 TAS1R3 (0.56) MAPTMAPK1TSHRTAS1R3TAS1R1
Hydrochloric Acid SCHEMBL21494472 0.77 PDE4A (0.52) MAPTMAPK1TSHRALDH1A1KDM4E
SCHEMBL3558885 0.76 PDE4A (0.60) MAPTMAPK1NPSR1LMNASMN1; SMN2
SCHEMBL30568367 0.76 PDE4A (0.60) MAPTMAPK1NPSR1LMNASMN1; SMN2
SCHEMBL21494483 0.76 PDE4A (0.60) MAPTMAPK1NPSR1LMNASMN1; SMN2

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
US-6284780-B1 PREVENT TUMOR NECROSIS FACTOR RETROVIRUS REPRODUCTION CELGENE CORPORATION 2001-09-04 US disclosed