SCHEMBL1038049

SCHEMBL1038049

CCCCCCCCCCCCCCCCCCCOC(=O)c1ccc(O)c(O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.72
AKR1C4 P17516 1/20 0.72
AKR1C3 P42330 1/20 0.72
AKR1C2 P52895 1/20 0.72
AKR1C1 Q04828 1/20 0.72
CA12 O43570 1/20 0.66
CA1 P00915 1/20 0.66
CA2 P00918 1/20 0.66
CA7 P43166 1/20 0.66
CA9 Q16790 1/20 0.66
CA14 Q9ULX7 1/20 0.66
HDAC6 Q9UBN7 1/20 0.64
NPC1 O15118 1/20 0.63
MAPT P10636 1/20 0.63
RAB9A P51151 1/20 0.63
ALDH1A1 P00352 1/20 0.63
CNR2 P34972 2/20 0.62
LMNA P02545 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2D6 P10635 1/20 0.59

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
SCHEMBL31125321 1.00 ESR1 (0.72) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL31125318 1.00 ESR1 (0.72) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL1040996 1.00 ESR1 (0.72) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL1042180 1.00 ESR1 (0.72) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL1042703 1.00 ESR1 (0.72) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL1041010 1.00 ESR1 (0.72) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL11131748 1.00 ESR1 (0.72) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL4960394 1.00 ESR1 (0.72) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL1039666 1.00 ESR1 (0.72) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL31125336 1.00 ESR1 (0.72) ESR1AKR1C4AKR1C3AKR1C2AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1095996-B1 Thermochromic solid having reversibly invisible/visible construction enclosed therein PILOT INK CO LTD (JP) 2011-01-26 EP disclosed
US-6468088-B1 Solid having reversibly invisible/visible thermochromic construction enclosed therein THE PILOT INK CO., LTD. (JP) 2002-10-22 US disclosed
EP-1095996-A1 Thermochromic solid having reversibly invisible/visible construction enclosed therein THE PILOT INK CO., LTD. (JP) 2001-05-02 EP disclosed