SCHEMBL9544546

SCHEMBL9544546

CC(C)N(C(=O)c1ccc(C(O)c2ccc3c(c2)OCO3)cc1)C1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 3/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
HPGD P15428 3/20 0.47
TSHR P16473 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
TP53 P04637 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
HTT P42858 2/20 0.42
CHEK2 O96017 1/20 0.41
CYP1A2 P05177 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
SCHEMBL9542254 0.83 TRPM8 (0.55) TRPM8NPC1RAB9AHPGDTSHR
SCHEMBL9543513 0.79 HIF1A (0.43) NPC1RAB9ATSHR
SCHEMBL10453097 0.78 SLC6A9 (0.51) TRPM8NPC1RAB9AKDM4EMEN1
SCHEMBL9542307 0.76 MEN1 (0.42) TSHRMEN1ALDH1A1KMT2ATP53
SCHEMBL9544578 0.76 TRPM8 (0.47) TRPM8NPC1RAB9AHPGDTSHR
SCHEMBL9544541 0.74 TRPM8 (0.46) TRPM8NPC1RAB9AHPGDTSHR
SCHEMBL9543538 0.72 NPC1 (0.45) TRPM8NPC1RAB9AHPGDTSHR
SCHEMBL12917871 0.72 ALDH1A1 (0.58) NPC1RAB9AHPGDTSHRMEN1
SCHEMBL9540784 0.72 MEN1 (0.47) TRPM8RAB9AKDM4EMEN1ALDH1A1
SCHEMBL14407204 0.72 PDK2 (0.45) TRPM8KDM4EMEN1ALDH1A1LMNA

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