SCHEMBL9747339

SCHEMBL9747339

C=CCc1c(O)ccc(C(=O)O)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.43
SELL P14151 1/20 0.41
SELP P16109 1/20 0.41
KLKB1 P03952 1/20 0.41
CTSB P07858 1/20 0.41
MMP9 P14780 1/20 0.41
DNMT1 P26358 1/20 0.41
DNMT3B Q9UBC3 1/20 0.41
DNMT3L Q9UJW3 1/20 0.41
DNMT3A Q9Y6K1 1/20 0.41
XDH P47989 1/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 2/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GABRA1 P14867 2/20 0.37
GABRB2 P47870 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 2/20 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
SCHEMBL11633205 0.87 SRD5A1 (0.46) SRD5A1XDHKDM4EGAATSHR
SCHEMBL10706688 0.87 TSHR (0.40) SRD5A1SELLSELPKLKB1CTSB
SCHEMBL10693944 0.86 SRD5A1 (0.45) SRD5A1SELLSELPKLKB1CTSB
SCHEMBL2925754 0.84 SELL (0.52) SRD5A1SELLSELPKLKB1CTSB
SCHEMBL8772614 0.83 SLC22A6 (0.44) SRD5A1SELLSELPKLKB1CTSB
SCHEMBL18915 0.83 GAA (0.38) KDM4EGAATSHRSMN1; SMN2HSD17B10
Water SCHEMBL3696709 0.81 GAA (0.37) KDM4EGAATSHRSMN1; SMN2HSD17B10
SCHEMBL2458711 0.81 TSHR (0.37) KDM4EGAATSHRSMN1; SMN2HSD17B10
SCHEMBL6526829 0.81 SELL (0.52) SRD5A1SELLSELPKLKB1CTSB
SCHEMBL8772734 0.80 SRD5A1 (0.41) SRD5A1SELLSELPKLKB1CTSB

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-5134197-A A water repellent silicone coating with metal carboxylate salts NIPPON PAINT CO., INC. (JP) 1992-07-28 US disclosed
EP-0376410-A2 Novel hydrolyzable silicone resin composition, preparation method and coating composition containing the same NIPPON PAINT CO., LTD. (JP) 1990-07-04 EP disclosed