SCHEMBL7112196

SCHEMBL7112196

CC(C)(C)OC(=O)N1CC2OC2c2ccccc21.CC(C)(C)OC(=O)N1CC=Cc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.37
BCHE P06276 1/20 0.34
LMNA P02545 2/20 0.33
NOTUM Q6P988 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
NAMPT P43490 1/20 0.33
RORC P51449 1/20 0.32
P2RX4 Q99571 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
USP30 Q70CQ3 1/20 0.31
GRM5 P41594 1/20 0.31
GRM1 Q13255 1/20 0.31

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
SCHEMBL5560266 0.88 KDM1A (0.44) KDM1ABCHENOTUMSMN1; SMN2HDAC1
SCHEMBL29380399 0.84 BCHE (0.46) KDM1ABCHELMNASMN1; SMN2HDAC1
SCHEMBL5560408 0.84 BCHE (0.46) KDM1ABCHELMNASMN1; SMN2HDAC1
Indole SCHEMBL27827279 0.73 TRPA1 (0.38) KDM1ABCHELMNASMN1; SMN2HDAC1
Quinoline SCHEMBL28294326 0.72 PDE10A (0.38) KDM1ABCHEMEN1KMT2AGPR119
SCHEMBL7004085 0.72 KDM1A (0.50) KDM1ABCHENOTUMHDAC1HDAC6
SCHEMBL8016162 0.72 NOTUM (0.63) KDM1ABCHENOTUMSMN1; SMN2HDAC1
SCHEMBL27739868 0.71 BCHE (0.48) KDM1ABCHEHDAC1HDAC6P2RX4
Oxindole SCHEMBL28307962 0.71 AHR (0.44) KDM1ABCHESMN1; SMN2HDAC1HDAC6
SCHEMBL3707225 0.71 KDM1A (0.52) KDM1ABCHENOTUMHDAC1HDAC6

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
EP-1408970-A1 INDOLINES AND TETRAHYDRO-QUINOLINES AS PRODRUGS FOR TUMOUR TREATMENT THE SCHOOL OF PHARMACY, UNIVERSITY OF LONDON (GB) 2004-04-21 EP disclosed
WO-2002067937-A1 INDOLINE AND TETRAHYDRO-QUINOLINES AS PRODRUGS FOR TUMOUR TREATMENT SCHOOL OF PHARMACY, UNIVERSITY OF LONDON (GB) 2002-09-06 WO disclosed