SCHEMBL2734467

SCHEMBL2734467

CCCCOC(=O)NC1CCCN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.53
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
CTSK P43235 1/20 0.50
MAPK1 P28482 2/20 0.49
DPP4 P27487 1/20 0.48
KCNH2 Q12809 1/20 0.48
DPP7 Q9UHL4 1/20 0.48
ALDH1A1 P00352 3/20 0.47
EPHX1 P07099 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
GAA P10253 1/20 0.46
USP30 Q70CQ3 1/20 0.45
PRCP P42785 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP2C19 P33261 1/20 0.45
TSHR P16473 2/20 0.45

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
SCHEMBL951534 0.94 HSD11B1 (0.60) HSD11B1CTSLCTSBCTSKMAPK1
SCHEMBL951786 0.90 HSD11B1 (0.63) HSD11B1CTSLCTSBCTSKMAPK1
SCHEMBL954965 0.87 KMT2A (0.60) HSD11B1CTSLCTSBCTSKMAPK1
SCHEMBL22469041 0.86 HSD11B1 (0.62) HSD11B1CTSLCTSBCTSKMAPK1
SCHEMBL3333381 0.85 ALDH1A1 (0.51) HSD11B1CTSLCTSBCTSKMAPK1
SCHEMBL30275177 0.84 MAPK1 (0.54) HSD11B1CTSLCTSBCTSKMAPK1
SCHEMBL29080121 0.84 SMN1; SMN2 (0.55) HSD11B1CTSLCTSBCTSKMAPK1
SCHEMBL2063483 0.83 USP30 (0.58) HSD11B1CTSLCTSBCTSKMAPK1
SCHEMBL2063481 0.83 USP30 (0.58) HSD11B1CTSLCTSBCTSKMAPK1
SCHEMBL6128873 0.83 USP30 (0.58) HSD11B1CTSLCTSBCTSKMAPK1

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-2632898-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS Biogen Idec MA Inc. (US) 2013-09-04 EP disclosed
WO-2012058645-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS BIOGEN IDEC MA INC. (US) 2012-05-03 WO disclosed