SCHEMBL6810992

SCHEMBL6810992

O=C(O)C1=C(c2ccccc2)C(O)CCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.43
LMNA P02545 2/20 0.39
SLC6A3 Q01959 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
FABP4 P15090 2/20 0.38
FABP5 Q01469 2/20 0.38
ADORA1 P30542 2/20 0.36
KMO O15229 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
FAAH O00519 1/20 0.35
MGLL Q99685 1/20 0.35
HPGD P15428 1/20 0.34
BRD3 Q15059 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34

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
SCHEMBL31059234 0.77 FGF23 (0.40) LMNASLC6A3SLC6A2SLC6A4ALDH1A1
SCHEMBL31059231 0.77 FGF23 (0.40) LMNASLC6A3SLC6A2SLC6A4ALDH1A1
SCHEMBL4320799 0.75 BCL2L1 (0.43) DHODHSLC6A3SLC6A4KMT2A
SCHEMBL1551982 0.70 GAA (0.39)
SCHEMBL4350872 0.68 SLC6A3 (0.65) DHODHSLC6A3SLC6A2SLC6A4FABP4
SCHEMBL1751676 0.68 SLC6A3 (0.65) DHODHSLC6A3SLC6A2SLC6A4FABP4
SCHEMBL1751614 0.68 SLC6A3 (0.65) DHODHSLC6A3SLC6A2SLC6A4FABP4
SCHEMBL1752157 0.68 SLC6A3 (0.65) DHODHSLC6A3SLC6A2SLC6A4FABP4
SCHEMBL1751726 0.68 SLC6A3 (0.60) DHODHSLC6A3SLC6A2SLC6A4FABP4
SCHEMBL1752156 0.68 SLC6A3 (0.65) DHODHSLC6A3SLC6A2SLC6A4FABP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040116398-A1 Therapeutic applications of estrogenic carboxylic acids SOUTHERN ILLINOIS UNIVERSITY 2004-06-17 US claimed
WO-1999066915-A2 THERAPEUTIC APPLICATIONS OF ESTROGENIC CARBOXYLIC ACIDS SOUTHERN ILLINOIS UNIVERSITY AT CARBONDALE (US) 1999-12-29 WO claimed
US-20040116398-A1 Therapeutic applications of estrogenic carboxylic acids SOUTHERN ILLINOIS UNIVERSITY 2004-06-17 US disclosed
US-6608111-B1 Estrogenic carboxylic acids; administering bisdehydrodoisynolic acid SOUTHERN ILLINOIS UNIVERSITY OFFICE OF RESEARCH, DEVELOPMENT AND ADMINISTRATION 2003-08-19 US disclosed
WO-1999066915-A2 THERAPEUTIC APPLICATIONS OF ESTROGENIC CARBOXYLIC ACIDS SOUTHERN ILLINOIS UNIVERSITY AT CARBONDALE (US) 1999-12-29 WO disclosed