SCHEMBL8959758

SCHEMBL8959758

CCCC(CCCCCCC(=O)O)c1ccc(-c2ccccc2CC(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.45
CYSLTR1 Q9Y271 2/20 0.45
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.37
PPARA Q07869 3/20 0.37
TBXAS1 P24557 2/20 0.37
FFAR4 Q5NUL3 3/20 0.36
MME P08473 2/20 0.36
ACE P12821 2/20 0.36
LTB4R2 Q9NPC1 2/20 0.36
FFAR1 O14842 2/20 0.36
CPA1 P15085 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
SOAT1 P35610 2/20 0.36
PPARG P37231 1/20 0.36
S1PR1 P21453 1/20 0.36

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
SCHEMBL8959766 0.82 PTGS1 (0.44) ALDH1A1MMEACES1PR1
SCHEMBL8959585 0.81 PTGS1 (0.48) ALDH1A1FFAR4FFAR1S1PR1
SCHEMBL8959593 0.81 PTGS1 (0.48) ALDH1A1FFAR4FFAR1S1PR1
SCHEMBL29074125 0.80 CYSLTR2 (0.52) CYSLTR2CYSLTR1KMT2AALDH1A1PPARA
SCHEMBL8959763 0.80 CYSLTR2 (0.47) CYSLTR2CYSLTR1PPARAFFAR4MME
SCHEMBL8959834 0.76 PTGS1 (0.48) CYSLTR2CYSLTR1ALDH1A1FFAR4FFAR1
SCHEMBL10354176 0.75 CYSLTR2 (0.59) CYSLTR2CYSLTR1KMT2AALDH1A1PPARA
SCHEMBL825340 0.75 CYSLTR2 (0.59) CYSLTR2CYSLTR1KMT2AALDH1A1PPARA
SCHEMBL30497412 0.75 CYSLTR2 (0.59) CYSLTR2CYSLTR1KMT2AALDH1A1PPARA
SCHEMBL7712810 0.75 CYSLTR2 (0.55) CYSLTR2CYSLTR1ALDH1A1TBXAS1

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