SCHEMBL8586231

SCHEMBL8586231

O=Cc1ccccc1-c1ccc(CCS(=O)(=O)NCCCCCCC(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 3/20 0.49
MMP13 P45452 3/20 0.49
MMP8 P22894 2/20 0.49
ALDH1A1 P00352 3/20 0.45
TBXA2R P21731 3/20 0.45
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MMP1 P03956 1/20 0.39
MMP7 P09237 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PKLR P30613 1/20 0.39
CDC25A P30304 1/20 0.38
CDC25B P30305 1/20 0.38
GAA P10253 1/20 0.38
TBXAS1 P24557 1/20 0.37
FFAR1 O14842 1/20 0.37

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
SCHEMBL5491171 0.85 MMP8 (0.51) MMP12MMP13MMP8ALDH1A1TBXA2R
SCHEMBL8587219 0.82 ALDH1A1 (0.47) MMP12MMP13MMP8ALDH1A1TBXA2R
SCHEMBL5859870 0.74 ALDH1A1 (0.47) MMP12MMP13MMP8ALDH1A1TBXA2R
SCHEMBL1471504 0.74 NR1H4 (0.51) MMP12MMP13MMP8ALDH1A1TBXA2R
SCHEMBL7105105 0.74 MMP8 (0.43) MMP12MMP13MMP8ALDH1A1TBXA2R
SCHEMBL3207695 0.72 MMP8 (0.60) MMP12MMP13MMP8ALDH1A1L3MBTL1
SCHEMBL5476518 0.69 ALDH1A1 (0.62) MMP13MMP8ALDH1A1TBXA2RMAPT
SCHEMBL1471098 0.69 LTB4R (0.50) TBXA2RTBXAS1FFAR1
SCHEMBL5725952 0.68 CYP4F2 (0.51)
SCHEMBL9002519 0.66 MMP8 (0.59) MMP12MMP13MMP8ALDH1A1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946501-A1 PREVENTION OF LOSS AND RESTORATION OF BONE MASS BY CERTAIN PROSTAGLANDIN AGONISTS PFIZER INC. (US) 1999-10-06 EP disclosed
WO-1998028264-A1 PREVENTION OF LOSS AND RESTORATION OF BONE MASS BY CERTAIN PROSTAGLANDIN AGONISTS PFIZER INC. (US) 1998-07-02 WO disclosed