SCHEMBL9543538

SCHEMBL9543538

CC(C)N(C(=O)c1ccc(C(=O)c2ccc3c(c2)OOCOO3)cc1)C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
TRPM8 Q7Z2W7 1/20 0.43
SLC6A9 P48067 1/20 0.40
TSHR P16473 3/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
PDK2 Q15119 1/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
KMT2A Q03164 2/20 0.35
SRD5A2 P31213 1/20 0.35
HPGD P15428 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
RECQL P46063 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
SCHEMBL9543530 0.82 SLC6A9 (0.38) NPC1RAB9ATRPM8SLC6A9TSHR
SCHEMBL10453097 0.79 SLC6A9 (0.51) NPC1RAB9ATRPM8SLC6A9SLC6A2
SCHEMBL9541760 0.73 TUBB4A (0.51) SLC6A9MAPTMEN1KMT2A
SCHEMBL9540784 0.73 MEN1 (0.47) RAB9ATRPM8SLC6A9SLC6A2SLC6A4
SCHEMBL12917871 0.73 ALDH1A1 (0.58) NPC1RAB9ASLC6A9TSHRMAPT
SCHEMBL9542254 0.72 TRPM8 (0.55) NPC1RAB9ATRPM8TSHRKDM4E
SCHEMBL9544546 0.72 TRPM8 (0.55) NPC1RAB9ATRPM8TSHRKDM4E
SCHEMBL10453321 0.72 MAPT (0.50) TRPM8SLC6A9TSHRSLC6A2SLC6A4
SCHEMBL9542226 0.72 TRPM8 (0.47) TRPM8SLC6A9SLC6A2SLC6A4PDK2
SCHEMBL9544578 0.70 TRPM8 (0.47) NPC1RAB9ATRPM8SLC6A9TSHR

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