SCHEMBL10248415

SCHEMBL10248415

COC(=O)c1cc(C(=O)NCCCCN(C)C(=O)O)ccc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
SIGMAR1 Q99720 7/20 0.42
TMEM97 Q5BJF2 5/20 0.42
OPRM1 P35372 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
APP P05067 2/20 0.41
GLA P06280 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
ATM Q13315 1/20 0.40
DRD2 P14416 1/20 0.40

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
SCHEMBL380616 0.76 LMNA (0.60) ALDH1A1KDM4EMAPTHPGDTSHR
SCHEMBL27214488 0.73 L3MBTL1 (0.56) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL2722810 0.71 KDM4E (0.60) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL2912873 0.71 KDM4E (0.73) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL1559086 0.70 HPGD (0.53) POLBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2951611 0.70 HPGD (0.59) ALDH1A1KDM4EHPGDHSD17B10SIGMAR1
SCHEMBL3030899 0.70 SIGMAR1 (0.70) ALDH1A1KDM4EHPGDSIGMAR1TMEM97
SCHEMBL5535003 0.70 ALDH1A1 (0.55) POLBALDH1A1KDM4EGAAMAPT
SCHEMBL7620985 0.69 NPC1 (0.57) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL2315291 0.69 HPGD (0.65) ALDH1A1KDM4EGAAMAPTHPGD

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
WO-2012059442-A2 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2012-05-10 WO disclosed