SCHEMBL8959823

SCHEMBL8959823

CC(C)Cc1ccc(CCCCCOCCC(=O)c2c[nH]c3ccccc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.57
HPGD P15428 1/20 0.57
CTNNB1 P35222 5/20 0.47
WNT3A P56704 5/20 0.47
ADAM17 P78536 1/20 0.46
POLB P06746 1/20 0.44
LMNA P02545 1/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
IGF1R P08069 1/20 0.43
GABRA1 P14867 2/20 0.42

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
SCHEMBL8959873 0.88 MAPT (0.61) MAPTHPGDCTNNB1WNT3AADAM17
SCHEMBL9159676 0.82 MAPT (0.48) MAPTHPGDPOLBHDAC1HDAC2
SCHEMBL8959819 0.77 MAPT (0.58) MAPTHPGDCTNNB1WNT3AADAM17
SCHEMBL9289530 0.75 MAPT (0.56) MAPTHPGDCTNNB1WNT3AADAM17
SCHEMBL9166415 0.75 FFAR1 (0.50) MAPTLMNA
SCHEMBL8959890 0.74 MAPT (0.57) MAPTHPGDCTNNB1WNT3AADAM17
SCHEMBL8959729 0.74 MAPT (0.57) MAPTHPGDCTNNB1WNT3AADAM17
SCHEMBL9166360 0.74 OXER1 (0.61) MAPTHPGDHDAC1HDAC2HDAC3
SCHEMBL8959876 0.74 SLC6A4 (0.54) MAPTHPGD
SCHEMBL8959773 0.73 MAPT (0.58) MAPTHPGDCTNNB1WNT3AADAM17

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 3 patents. 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
EP-0648208-A1 INDOLE DERIVATIVES AS TESTOSTERONE 5 ALPHA-REDUCTASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-04-19 EP disclosed
WO-1994022821-A1 INDOLE DERIVATIVES AS TESTOSTERONE 5 ALPHA-REDUCTASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-13 WO disclosed