SCHEMBL21787392

SCHEMBL21787392

CC(C)(C)OC(=O)Cc1cccc2c1CC(C(C)(C)C)OC2

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNKS O95271 3/20 0.35
TNKS2 Q9H2K2 3/20 0.35
MTNR1A P48039 5/20 0.35
MTNR1B P49286 5/20 0.35
RAB7A P51149 1/20 0.33
RORC P51449 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
NR1D1 P20393 1/20 0.31
DRD1 P21728 1/20 0.30
TP53 P04637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
NAMPT P43490 1/20 0.30
MAPT P10636 2/20 0.30

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
SCHEMBL21777996 0.91 MTNR1A (0.34) MTNR1AMTNR1BRORCSMN1; SMN2NPC1
SCHEMBL21767529 0.90 MTNR1A (0.35) MTNR1AMTNR1BRORCSMN1; SMN2NPC1
SCHEMBL30493364 0.90 MTNR1A (0.35) MTNR1AMTNR1BRORCSMN1; SMN2NPC1
SCHEMBL21777227 0.73 MTNR1A (0.40) MTNR1AMTNR1BRORC
SCHEMBL27813798 0.72 PNMT (0.50) MTNR1AMTNR1BSMN1; SMN2NPC1RAB9A
SCHEMBL31583065 0.72 MTNR1A (0.38) MTNR1AMTNR1BRORCSMN1; SMN2NPC1
SCHEMBL9863289 0.70 MTNR1A (0.52) MTNR1AMTNR1BRORCNPC1RAB9A
SCHEMBL15042391 0.70 DDB1 (0.50) L3MBTL1NAMPT
SCHEMBL15068402 0.70 MTNR1A (0.39) MTNR1AMTNR1BRORCL3MBTL1
SCHEMBL20424706 0.68 XIAP (0.38) MTNR1AMTNR1B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020047207-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTICS, INC. (US) 2020-03-05 WO disclosed