SCHEMBL3718331

SCHEMBL3718331

CC(N)C(=O)Oc1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 2/20 0.41
ALDH1A1 P00352 4/20 0.39
TSHR P16473 2/20 0.38
XIAP P98170 1/20 0.38
BIRC2 Q13490 1/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
ABCB11 O95342 1/20 0.38
ESR1 P03372 1/20 0.38
ADRA2A P08913 1/20 0.38
CYP2C9 P11712 1/20 0.38
PDE4A P27815 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRK1 P41145 1/20 0.38
STAT6 P42226 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL359159 1.00 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9ACYP3A4CYP1A2
Hydrochloric Acid SCHEMBL9641232 0.98 SMN1; SMN2 (0.42) SMN1; SMN2NPC1RAB9ACYP3A4CYP1A2
SCHEMBL10985870 0.81 ALDH1A1 (0.42) SMN1; SMN2NPC1RAB9ACYP3A4CYP1A2
SCHEMBL27864513 0.80 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9ACYP3A4CYP1A2
SCHEMBL7511792 0.79 NPC1 (0.39) SMN1; SMN2NPC1RAB9ACYP3A4CYP1A2
SCHEMBL21137978 0.79 SLC1A5 (0.41) SMN1; SMN2NPC1RAB9ACYP1A2ALDH1A1
SCHEMBL6658582 0.79 SLC1A5 (0.41) SMN1; SMN2NPC1RAB9ACYP1A2ALDH1A1
SCHEMBL15156598 0.78 PTPRA (0.42) SMN1; SMN2NPC1RAB9ACYP1A2ALDH1A1
SCHEMBL28426909 0.77 P4HTM (0.44) SMN1; SMN2NPC1RAB9ACYP3A4CYP1A2
Methyl Alcohol SCHEMBL11294525 0.77 PTPRA (0.41) SMN1; SMN2NPC1RAB9ACYP3A4CYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010084996-A1 SUBSTRATE, METHOD FOR PRODUCING THE SUBSTRATE, AND EXTRACTING DEVICE FUJIFILM CORPORATION (JP) 2010-07-29 WO disclosed
EP-0240914-B1 PEPTIDE DERIVATIVES AND ACTIVITY MEASURING METHOD OF PHYSIOLOGICALLY ACTIVE SUBSTANCES USING THE SAME AS SUBSTRATES WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1992-08-19 EP disclosed
US-5120644-A Reacting enzyme with substrate containing fluorescent substituent WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1992-06-09 US disclosed
EP-0240914-A2 Peptide derivatives and activity measuring method of physiologically active substances using the same as substrates WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1987-10-14 EP disclosed