SCHEMBL9217575

SCHEMBL9217575

CCCCCCCNC(=O)c1oc2ccc(C(C)C)cc2c1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 4/20 0.45
ALOX15 P16050 4/20 0.45
EPHX1 P07099 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
PTGS2 P35354 3/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
GSK3B P49841 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TBK1 Q9UHD2 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
SCHEMBL9216809 0.87 NAAA (0.49) NAAAALOX15HDAC1HDAC2CDK1
SCHEMBL9220337 0.86 L3MBTL1 (0.49) NAAAALOX15HDAC1HDAC2CDK1
SCHEMBL9218736 0.85 NAAA (0.47) NAAAALOX15EPHX1HDAC1HDAC2
SCHEMBL9212465 0.85 HDAC1 (0.54) NAAAALOX15EPHX1HDAC1HDAC2
SCHEMBL9217584 0.82 NAAA (0.46) NAAAALOX15EPHX1PTGS2NPC1
SCHEMBL9212386 0.80 L3MBTL1 (0.52) NAAAHDAC1HDAC2NPC1RAB9A
SCHEMBL9431631 0.80 L3MBTL1 (0.52) NAAAHDAC1HDAC2NPC1RAB9A
SCHEMBL9217430 0.79 TBK1 (0.46) NPC1RAB9ATBK1
SCHEMBL9430225 0.78 NPC1 (0.50) HDAC1HDAC2NPC1RAB9ASMN1; SMN2
SCHEMBL9216012 0.78 TP53 (0.55) NAAAHDAC1HDAC2NPC1RAB9A

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-0512570-B1 Urea derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1995-10-11 EP disclosed
EP-0512570-A1 Urea derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-11-11 EP disclosed