SCHEMBL6721113

SCHEMBL6721113

CC(C)(C)ON1C(C)(COc2ccc3ccccc3c2)CCCC1(C)COc1ccc2ccccc2c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AGXT P21549 2/20 0.39
HRH3 Q9Y5N1 8/20 0.39
DRD3 P35462 1/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALOX5 P09917 1/20 0.37
PTPN7 P35236 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL16300520 0.85 AGXT (0.41) AGXTHRH3DRD3NPC1HPGD
SCHEMBL6721046 0.82 HRH3 (0.46) AGXTHRH3DRD3NPC1HPGD
SCHEMBL14048931 0.81 RAB9A (0.45) AGXTHRH3DRD3NPC1HPGD
SCHEMBL6503405 0.67 CYP1A2 (0.44) AGXTHRH3DRD3NPC1HPGD
SCHEMBL7187755 0.66 AGXT (0.47) AGXTHRH3DRD3NPC1RAB9A
SCHEMBL27664392 0.66 AGXT (0.44) AGXTHRH3DRD3NPC1RAB9A
SCHEMBL13978367 0.65 AGXT (0.64) AGXTHRH3DRD3NPC1RAB9A
SCHEMBL12251011 0.64 AGXT (0.57) AGXTHRH3DRD3NPC1RAB9A
SCHEMBL470912 0.62 KDM4E (0.58) AGXTHRH3DRD3NPC1RAB9A
SCHEMBL13301363 0.62 KDM4E (0.61) AGXTHRH3DRD3NPC1RAB9A

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-8182975-B2 Positive resist composition and pattern forming method using the same FUJIFILM CORPORATION (JP) 2012-05-22 US disclosed
US-20080248419-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2008-10-09 US disclosed