SCHEMBL3634196

SCHEMBL3634196

CCCC(C)Oc1cccc(C(=O)NC)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.56
TAS1R1 Q7RTX1 2/20 0.56
ALDH1A1 P00352 5/20 0.55
LMNA P02545 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
SMPD1 P17405 3/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ALOX12 P18054 1/20 0.45
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 1/20 0.44
MTNR1A P48039 3/20 0.44
MTNR1B P49286 3/20 0.44
SLC7A5 Q01650 1/20 0.44
PLK1 P53350 1/20 0.43

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
SCHEMBL12124925 0.84 TAS1R3 (0.53) TAS1R3TAS1R1ALDH1A1LMNASMN1; SMN2
SCHEMBL12124934 0.84 KMT2A (0.60) TAS1R3TAS1R1ALDH1A1LMNASMN1; SMN2
SCHEMBL13702374 0.78 KMT2A (0.69) ALDH1A1LMNASMN1; SMN2SMPD1NPC1
SCHEMBL14969346 0.77 SMN1; SMN2 (0.65) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL17662852 0.77 KMT2A (0.61) ALDH1A1LMNASMN1; SMN2HDAC8HDAC6
SCHEMBL24500604 0.77 SMPD1 (0.70) ALDH1A1SMPD1PLK1
SCHEMBL3850447 0.75 NPC1 (0.70) ALDH1A1LMNASMN1; SMN2HDAC8HDAC6
SCHEMBL30416225 0.75 NPC1 (0.70) ALDH1A1LMNASMN1; SMN2HDAC8HDAC6
SCHEMBL13702279 0.75 SMN1; SMN2 (0.54) TAS1R3TAS1R1ALDH1A1LMNASMN1; SMN2
SCHEMBL31194774 0.74 SMPD1 (0.80) SMPD1

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
EP-2150526-A2 N-ADAMANTYL BENZAMIDES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE High Point Pharmaceuticals, LLC (US) 2010-02-10 EP disclosed
WO-2008101914-A2 N-ADAMANTYL BENZAMIDES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE HIGH POINT PHARMACEUTICALS, LLC (GB) 2008-08-28 WO disclosed