SCHEMBL8735872

SCHEMBL8735872

CCC(=O)OCCOC(C)Oc1ccc(C=CC(C=Cc2ccccc2)=Cc2ccc(O)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 3/20 0.42
AKR1B1 P15121 3/20 0.42
MAOB P27338 2/20 0.42
ABCG2 Q9UNQ0 4/20 0.40
LTB4R Q15722 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
CA12 O43570 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ESR1 P03372 5/20 0.38
ESR2 Q92731 2/20 0.38
PGR P06401 1/20 0.38
GSK3B P49841 1/20 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
SCHEMBL7776305 0.92 CA12 (0.41) AKR1B10AKR1B1MAOBABCG2CA12
SCHEMBL3842067 0.84 LTB4R (0.41) AKR1B10AKR1B1MAOBABCG2LTB4R
SCHEMBL7199294 0.84 LTB4R (0.41) AKR1B10AKR1B1MAOBABCG2LTB4R
SCHEMBL7783184 0.84 ABCG2 (0.42) AKR1B10AKR1B1MAOBABCG2CA12
SCHEMBL6839679 0.83 LTB4R (0.37) AKR1B10AKR1B1MAOBABCG2LTB4R
SCHEMBL7172181 0.81 ABCG2 (0.46) AKR1B10AKR1B1MAOBABCG2CA12
SCHEMBL6866016 0.81 CA12 (0.41) AKR1B10AKR1B1MAOBABCG2LTB4R
SCHEMBL6276080 0.80 ABCG2 (0.42) AKR1B10AKR1B1ABCG2LTB4RLTB4R2
SCHEMBL4964310 0.78 KMT2A (0.47) MAOBABCG2LTB4RLTB4R2CA12
SCHEMBL6280782 0.78 ABCG2 (0.46) AKR1B10AKR1B1MAOBABCG2CA12

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-0827970-A2 New acid-labile group protected hydroxystyrene polymers or copolymers thereof and their application to radiation sensitive materials Clariant AG (CH) 1998-03-11 EP disclosed