SCHEMBL8959890

SCHEMBL8959890

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.57
HPGD P15428 1/20 0.57
GABRA1 P14867 7/20 0.51
GABRB2 P47870 7/20 0.51
CTNNB1 P35222 4/20 0.45
WNT3A P56704 4/20 0.45
ADAM17 P78536 1/20 0.45
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 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
SCHEMBL8959773 0.99 MAPT (0.58) MAPTHPGDGABRA1GABRB2CTNNB1
SCHEMBL8959729 0.96 MAPT (0.57) MAPTHPGDGABRA1GABRB2CTNNB1
SCHEMBL9289530 0.85 MAPT (0.56) MAPTHPGDGABRA1GABRB2CTNNB1
SCHEMBL8959819 0.83 MAPT (0.58) MAPTHPGDGABRA1GABRB2CTNNB1
SCHEMBL8959873 0.82 MAPT (0.61) MAPTHPGDGABRA1GABRB2CTNNB1
SCHEMBL8959835 0.81 GABRA1 (0.64) MAPTGABRA1GABRB2CTNNB1WNT3A
SCHEMBL8960008 0.79 GABRA1 (0.72) MAPTGABRA1GABRB2CTNNB1WNT3A
SCHEMBL8959866 0.79 GABRA1 (0.72) MAPTGABRA1GABRB2CTNNB1WNT3A
SCHEMBL8077164 0.79 GABRA1 (0.72) MAPTGABRA1GABRB2CTNNB1WNT3A
SCHEMBL8959575 0.79 GABRA1 (0.72) MAPTGABRA1GABRB2CTNNB1WNT3A

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