SCHEMBL8348983

SCHEMBL8348983

N#Cc1ccc(C(OC(=O)CCC2CCCC2)C(=O)NC2CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.64
KLK7 P49862 7/20 0.53
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.43
MAPK1 P28482 1/20 0.42
EPHX1 P07099 1/20 0.41
LMNA P02545 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
SCHEMBL8349072 0.99 TSHR (0.66) TSHRKLK7NPC1RAB9AMAPK1
SCHEMBL8346775 0.76 TSHR (0.58) TSHRKLK7
SCHEMBL8348907 0.72 TSHR (0.51) TSHRNPC1RAB9ALMNA
SCHEMBL6762194 0.70 TSHR (0.55) TSHRNPC1RAB9AEPHX1
SCHEMBL16936035 0.70 KLK7 (1.00) TSHRKLK7NPC1RAB9A
SCHEMBL18648119 0.69 TSHR (0.67) TSHRNPC1RAB9AEPHX1
SCHEMBL30846710 0.67 KMT2A (0.57) TSHRKLK7NPC1RAB9AMAPK1
SCHEMBL18354572 0.67 KLK7 (1.00) KLK7
SCHEMBL18189140 0.65 TSHR (0.50) TSHR
SCHEMBL7385405 0.65 DRD2 (0.41) TSHRNPC1RAB9AEPHX1

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-2003101941-A2 ALPHA ACYLOXYACETAMIDES FOR KALLIKREIN AND UROKINASE INHIBITION GENZYME CORPORATION (US) 2003-12-11 WO disclosed