SCHEMBL8340767

SCHEMBL8340767

CC(=O)OC(c1ccc(CO)cc1)c1ccc(CC(=O)OCC(Cl)(Cl)Cl)cc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
MAPT P10636 1/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 3/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PRKCA P17252 1/20 0.32
PRKCD Q05655 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL8340762 0.78 ALDH1A1 (0.53) MAPTPOLBCYP4F2CYP4A11L3MBTL1
SCHEMBL8335056 0.70 L3MBTL1 (0.41) MAPTPOLBTSHRCYP4F2CYP4A11
SCHEMBL11686013 0.70 ALDH1A1 (0.61) TSHRL3MBTL1SMN1; SMN2KMT2A
SCHEMBL30679011 0.69 CYP4F2 (0.36) MAPTPOLBCYP4F2CYP4A11L3MBTL1
SCHEMBL30678993 0.67 MEN1 (0.42) TSHRSMN1; SMN2KMT2A
SCHEMBL6207253 0.66 CYP4Z1 (0.55) MAPTPOLBTSHRCYP4F2CYP4A11
SCHEMBL9372718 0.66 PTGS1 (0.56) TSHR
SCHEMBL28201770 0.65 ABL1 (0.51) MAPTPOLBL3MBTL1GAASMN1; SMN2
SCHEMBL8265199 0.65 FFAR1 (0.41) TSHR
SCHEMBL11441568 0.65 BRD4 (0.52) SMN1; SMN2KMT2A

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-5998595-A Azidohalogenobenzyl derivatives, sugar compounds and protection of hydroxy groups WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1999-12-07 US disclosed