SCHEMBL4035874

SCHEMBL4035874

NCc1cccc(NCCC(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 2/20 0.51
FFAR1 O14842 3/20 0.49
HTR6 P50406 1/20 0.48
TSHR P16473 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
CASP1 P29466 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL3188999 0.84 MAPT (0.52) FFAR1TSHRMEN1ALDH1A1MAPT
SCHEMBL6370932 0.83 CFD (0.53) CFDHTR6TSHRCA12CA1
SCHEMBL4841851 0.83 LOXL2 (0.51) CFDHTR6SMN1; SMN2CA12CA1
SCHEMBL4031553 0.83 POLB (0.56) FFAR1TSHRMEN1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL4841840 0.82 LOXL2 (0.50) CFDHTR6SMN1; SMN2CA12CA1
SCHEMBL3200030 0.81 FFAR1 (0.53) FFAR1TSHRMEN1ALDH1A1MAPT
SCHEMBL11441112 0.80 DDX3X (0.53) FFAR1HTR6TSHRMEN1ALDH1A1
SCHEMBL8276468 0.80 ENPP2 (0.47) CFDHTR6MAPTHTTLOXL2
SCHEMBL27501564 0.79 HTR6 (0.47) CFDHTR6MAPTHTTCA12
SCHEMBL28141068 0.78 MTNR1A (0.61) CFDHTR6TSHRMAPTHTT

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-1885695-B1 INDOLINE COMPOUNDS FOURNIER LAB SA (FR) 2009-02-25 EP disclosed