SCHEMBL9709636

SCHEMBL9709636

C=CCC(CO)OCCCOCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEAD3 Q99594 2/20 0.41
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
NAAA Q02083 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
GBA1 P04062 2/20 0.35
UGCG Q16739 2/20 0.35
GBA2 Q9HCG7 2/20 0.35
EPHX2 P34913 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 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
SCHEMBL29344721 0.87 TSHR (0.47) TEAD3TSHRKDM4EPOLBTDP1
SCHEMBL9709696 0.84 TEAD3 (0.44) TEAD3KDM4ETDP1L3MBTL1NAAA
SCHEMBL16370105 0.84 SLC1A3 (0.39) TSHRTDP1L3MBTL1SMN1; SMN2
SCHEMBL9709157 0.80 TEAD3 (0.40) TEAD3KDM4ENAAAHTTSMN1; SMN2
SCHEMBL9709745 0.79 TDP1 (0.41) TEAD3TSHRPOLBTDP1L3MBTL1
SCHEMBL1964292 0.78 ALDH1A1 (0.40) TSHRKDM4EPOLBCA1CA2
SCHEMBL9709543 0.78 TBXAS1 (0.41) TEAD3NAAA
SCHEMBL9709669 0.78 TEAD3 (0.41) TEAD3TSHRKDM4ETDP1L3MBTL1
SCHEMBL9709674 0.78 TEAD3 (0.41) TEAD3TSHRKDM4ETDP1L3MBTL1
SCHEMBL9709483 0.77 TEAD3 (0.44) TEAD3TSHRKDM4ETDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0493324-A1 Certain (arylsulfonamido- and pyridyl- or imidazolyl-)-substituted carboxylic acids and derivatives thereof CIBA-GEIGY AG (CH) 1992-07-01 EP disclosed