SCHEMBL8959819

SCHEMBL8959819

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

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
HPGD P15428 1/20 0.58
GABRA1 P14867 5/20 0.47
GABRB2 P47870 5/20 0.47
CTNNB1 P35222 4/20 0.43
WNT3A P56704 4/20 0.43
ADAM17 P78536 1/20 0.43
LMNA P02545 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP2C19 P33261 2/20 0.41
HAT1 O14929 2/20 0.40
EP300 Q09472 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 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
SCHEMBL9289530 0.94 MAPT (0.56) MAPTHPGDGABRA1GABRB2CTNNB1
SCHEMBL8959773 0.83 MAPT (0.58) MAPTHPGDGABRA1GABRB2CTNNB1
SCHEMBL8959890 0.83 MAPT (0.57) MAPTHPGDGABRA1GABRB2CTNNB1
SCHEMBL8959856 0.83 MAPT (0.51) MAPTHPGDGABRA1GABRB2MEN1
SCHEMBL8959862 0.83 MAPT (0.51) MAPTHPGDGABRA1GABRB2MEN1
SCHEMBL9289534 0.79 ALOX12 (0.43) MAPTHPGDMEN1KMT2ACYP2C19
SCHEMBL8959729 0.79 MAPT (0.57) MAPTHPGDGABRA1GABRB2CTNNB1
SCHEMBL8960173 0.77 PTGS1 (0.46) LMNACYP2C9
SCHEMBL8959823 0.77 MAPT (0.57) MAPTHPGDGABRA1GABRB2CTNNB1
SCHEMBL8959873 0.76 MAPT (0.61) MAPTHPGDGABRA1GABRB2CTNNB1

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