SCHEMBL9709669

SCHEMBL9709669

C=CCC(CO)CCCCOCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEAD3 Q99594 2/20 0.41
GBA1 P04062 2/20 0.40
UGCG Q16739 2/20 0.40
GBA2 Q9HCG7 2/20 0.40
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MMP3 P08254 4/20 0.38
MMP8 P22894 4/20 0.38
MMP9 P14780 3/20 0.38
TSHR P16473 1/20 0.38
EPHX2 P34913 1/20 0.38
MMP1 P03956 3/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL9709674 1.00 TEAD3 (0.41) TEAD3GBA1UGCGGBA2TDP1
SCHEMBL7631267 0.90 TSHR (0.41) TEAD3TDP1TSHRKDM4EHTT
SCHEMBL8878661 0.87 TSHR (0.47) GBA1UGCGGBA2TDP1L3MBTL1
SCHEMBL8607233 0.85 UGCG (0.48) GBA1UGCGGBA2TDP1L3MBTL1
SCHEMBL28990361 0.85 UGCG (0.48) GBA1UGCGGBA2TDP1L3MBTL1
SCHEMBL16826139 0.85 UGCG (0.48) GBA1UGCGGBA2TDP1L3MBTL1
SCHEMBL9709762 0.84 TEAD3 (0.44) TEAD3L3MBTL1MMP3MMP8MMP9
SCHEMBL9709579 0.84 FOLH1 (0.45) TEAD3L3MBTL1MMP3MMP8MMP9
SCHEMBL9709585 0.84 FOLH1 (0.45) TEAD3L3MBTL1MMP3MMP8MMP9
SCHEMBL9709766 0.84 TEAD3 (0.44) TEAD3L3MBTL1MMP3MMP8MMP9

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
US-5153214-A Treating cardiovascular disorders CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed
EP-0493324-A1 Certain (arylsulfonamido- and pyridyl- or imidazolyl-)-substituted carboxylic acids and derivatives thereof CIBA-GEIGY AG (CH) 1992-07-01 EP disclosed