SCHEMBL11424136

SCHEMBL11424136

COc1ccc(OC(=O)CCc2ccc(N)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 1/20 0.57
KMT2A Q03164 4/20 0.52
TAAR1 Q96RJ0 1/20 0.51
ALDH1A1 P00352 4/20 0.50
MAPT P10636 4/20 0.50
LMNA P02545 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
MAPK1 P28482 1/20 0.50
CYP19A1 P11511 1/20 0.50
POLB P06746 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
FFAR1 O14842 1/20 0.50
HTT P42858 1/20 0.50
HSD17B10 Q99714 1/20 0.50
SLC5A1 P13866 1/20 0.49
SLC5A2 P31639 1/20 0.49
NPC1 O15118 1/20 0.49

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
SCHEMBL11428045 0.88 KMT2A (0.52) KMT2AALDH1A1MAPTLMNAL3MBTL1
Hydrochloric Acid SCHEMBL11427067 0.86 KMT2A (0.51) KMT2AALDH1A1MAPTLMNAL3MBTL1
SCHEMBL11246900 0.86 CALM1 (0.62) F2RL1KMT2AALDH1A1MAPTLMNA
SCHEMBL2172184 0.86 KMT2A (0.66) F2RL1KMT2ATAAR1ALDH1A1MAPT
SCHEMBL14877832 0.86 CALM1 (0.62) F2RL1KMT2AALDH1A1MAPTLMNA
SCHEMBL11440313 0.85 MAPT (0.63) F2RL1KMT2AALDH1A1MAPTLMNA
SCHEMBL11437227 0.84 KMT2A (0.49) KMT2ATAAR1ALDH1A1MAPTLMNA
SCHEMBL11425352 0.84 KMT2A (0.59) KMT2ATDP1CYP19A1FFAR1NPC1
SCHEMBL28271408 0.84 KMT2A (0.72) F2RL1KMT2ATAAR1ALDH1A1MAPT
SCHEMBL11872885 0.84 KMT2A (0.68) KMT2AALDH1A1MAPTL3MBTL1TDP1

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-4182897-A ENZYME INHIBITORS FOR PROTEOLYTIC ENZYMES TORII & CO., LTD. (JP) 1980-01-08 US disclosed