SCHEMBL9544541

SCHEMBL9544541

CC(C)N(C(=O)c1ccc(Cc2ccc3c(c2O)OCO3)cc1)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
TSHR P16473 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.37
SLC6A9 P48067 1/20 0.36
MCHR1 Q99705 1/20 0.35
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB2 P47870 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
SCHEMBL9544578 0.77 TRPM8 (0.47) TRPM8NPC1RAB9ATSHRKDM4E
SCHEMBL10453097 0.76 SLC6A9 (0.51) TRPM8NPC1RAB9AKDM4EMEN1
SCHEMBL9208637 0.75 SLC6A9 (0.44) KDM4EMEN1ALDH1A1LMNAKMT2A
SCHEMBL9544546 0.74 TRPM8 (0.55) TRPM8NPC1RAB9ATSHRKDM4E
SCHEMBL9542254 0.74 TRPM8 (0.55) TRPM8NPC1RAB9ATSHRKDM4E
SCHEMBL12917871 0.70 ALDH1A1 (0.58) NPC1RAB9ATSHRMEN1ALDH1A1
SCHEMBL9540784 0.70 MEN1 (0.47) TRPM8RAB9AKDM4EMEN1ALDH1A1
SCHEMBL10453321 0.70 MAPT (0.50) TRPM8TSHRKDM4EMEN1ALDH1A1
SCHEMBL9542226 0.69 TRPM8 (0.47) TRPM8KDM4EMEN1ALDH1A1LMNA
SCHEMBL9543538 0.69 NPC1 (0.45) TRPM8NPC1RAB9ATSHRKDM4E

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