SCHEMBL9543530

SCHEMBL9543530

CC(C)N(C(=O)c1ccc(C(=O)c2ccc3c(c2)OOOC3)cc1)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TRPM8 Q7Z2W7 2/20 0.37
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.33
PDK2 Q15119 1/20 0.33
HSD11B1 P28845 4/20 0.33
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32

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
SCHEMBL9543538 0.82 NPC1 (0.45) SLC6A9NPC1RAB9ATRPM8SLC6A2
SCHEMBL10453097 0.76 SLC6A9 (0.51) SLC6A9NPC1RAB9ATRPM8SLC6A2
SCHEMBL9541760 0.70 TUBB4A (0.51) SLC6A9MAPTMEN1KMT2APOLB
SCHEMBL12917871 0.70 ALDH1A1 (0.58) SLC6A9NPC1RAB9AMAPTTSHR
SCHEMBL9540784 0.70 MEN1 (0.47) SLC6A9RAB9ATRPM8SLC6A2SLC6A4
SCHEMBL10453321 0.70 MAPT (0.50) SLC6A9TRPM8SLC6A2SLC6A4MAPT
SCHEMBL9542226 0.69 TRPM8 (0.47) SLC6A9TRPM8SLC6A2SLC6A4MAPT
SCHEMBL9208637 0.67 SLC6A9 (0.44) SLC6A9SLC6A2SLC6A4MAPTPDK2
SCHEMBL3233715 0.66 HSD11B1 (0.71) PDK2HSD11B1
SCHEMBL9544578 0.66 TRPM8 (0.47) SLC6A9NPC1RAB9ATRPM8TSHR

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
US-5223539-A Antagonist of platelet activating factor G. D. SEARLE & CO. (US) 1993-06-29 US disclosed
WO-1993010077-A1 N,N-DI-ALKYL(PHENOXY)BENZAMIDE DERIVATIVES G.D. SEARLE & CO. (US) 1993-05-27 WO disclosed