SCHEMBL16103641

SCHEMBL16103641

NC(=O)CC[C@H](N)C(=O)NCC1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.43
TSHR P16473 2/20 0.43
ANPEP P15144 1/20 0.42
ERAP2 Q6P179 1/20 0.42
DPP4 P27487 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
EPHX1 P07099 1/20 0.40
EPHX2 P34913 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPFFR2 Q9Y5X5 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
F2R P25116 1/20 0.37
SMYD3 Q9H7B4 1/20 0.36
HTR4 Q13639 2/20 0.34
KDM1A O60341 1/20 0.34

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
SCHEMBL13151574 1.00 ALOX15 (0.43) ALOX15TSHRANPEPERAP2DPP4
SCHEMBL8599837 0.81 KMT2A (0.45) ALOX15TSHRANPEPDPP4DPP8
SCHEMBL1768567 0.77 ALOX15 (0.43) ALOX15TSHRANPEPERAP2EPHX1
SCHEMBL1768564 0.77 ALOX15 (0.43) ALOX15TSHRANPEPERAP2EPHX1
SCHEMBL7350548 0.73 TDP1 (0.72) ALOX15TSHRANPEPERAP2EPHX1
SCHEMBL10446115 0.73 ALOX15 (0.54) ALOX15TSHRANPEPERAP2DPP4
Hydrochloric Acid SCHEMBL27579080 0.72 TDP1 (0.69) ALOX15TSHRANPEPERAP2EPHX1
SCHEMBL14167229 0.72 TDP1 (0.48) TSHRDPP4DPP8DPP9KMT2A
SCHEMBL3633232 0.72 ALOX15 (0.47) ALOX15TSHRANPEPERAP2DPP4
SCHEMBL8596548 0.71 KMT2A (0.46) ANPEPDPP4DPP8DPP9BLM

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-8841257-B2 Inhibitors of STAT3 and uses thereof BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-09-23 US disclosed