SCHEMBL9306821

SCHEMBL9306821

CCC1OC(C)(C)OC1C(=O)Oc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.36
PPARG P37231 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 2/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
USP2 O75604 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
ELANE P08246 2/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 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
SCHEMBL15325112 0.81 ALDH1A1 (0.40) ALDH1A1MEN1KMT2APOLBL3MBTL1
SCHEMBL14967504 0.80 TSHR (0.44) ALDH1A1MEN1PPARGKMT2ASMN1; SMN2
SCHEMBL12518968 0.75 PGD (0.42) ALDH1A1MEN1KMT2APOLBMAPK1
SCHEMBL2225864 0.75 PGD (0.42) ALDH1A1MEN1KMT2APOLBMAPK1
SCHEMBL16488727 0.73 TSHR (0.39) ALDH1A1KMT2ATSHRL3MBTL1MAPK1
SCHEMBL16421028 0.73 TSHR (0.39) ALDH1A1KMT2ATSHRL3MBTL1MAPK1
SCHEMBL16421031 0.73 TSHR (0.39) ALDH1A1KMT2ATSHRL3MBTL1MAPK1
SCHEMBL14967607 0.72 L3MBTL1 (0.43) ALDH1A1POLBL3MBTL1ELANEGAA
SCHEMBL9134240 0.72 TSHR (0.42) ALDH1A1MEN1PPARGKMT2ASMN1; SMN2
SCHEMBL14967425 0.72 POLB (0.40) ALDH1A1TSHRCHRM2CHRM4CHRM5

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
US-5328638-A Increasing spontaneous polarization HOECHST AKTIENGESELLSCHAFT (DE) 1994-07-12 US disclosed