SCHEMBL8959862

SCHEMBL8959862

CCCCC(OCC=CC(=O)c1c[nH]c2ccccc12)c1ccc(CC(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
HPGD P15428 1/20 0.51
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HAT1 O14929 4/20 0.39
EP300 Q09472 4/20 0.39
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
CCKBR P32239 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38

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
SCHEMBL8959856 1.00 MAPT (0.51) MAPTHPGDNPC1RAB9ATDP1
SCHEMBL8959819 0.83 MAPT (0.58) MAPTHPGDHAT1EP300GABRA1
SCHEMBL9289530 0.81 MAPT (0.56) MAPTHPGDHAT1EP300GABRA1
SCHEMBL8959728 0.78 PTGS1 (0.43)
SCHEMBL8959730 0.78 PTGS1 (0.43)
SCHEMBL9159676 0.77 MAPT (0.48) MAPTHPGDNPC1RAB9ATDP1
SCHEMBL8959679 0.77 SRD5A1 (0.55)
SCHEMBL8959688 0.77 SRD5A1 (0.55)
SCHEMBL8959956 0.74 NPC1 (0.68) MAPTHPGDNPC1RAB9ATDP1
SCHEMBL8959963 0.74 NPC1 (0.68) MAPTHPGDNPC1RAB9ATDP1

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
US-5530019-A FOR TREATMENT OF PROSTATE GLAND DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-06-25 US disclosed