SCHEMBL1040975

SCHEMBL1040975

CCCCCCCCCCCCCCCCCCOC(=O)c1cccc(O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.61
AKR1C4 P17516 1/20 0.61
AKR1C3 P42330 1/20 0.61
AKR1C2 P52895 1/20 0.61
AKR1C1 Q04828 1/20 0.61
LMNA P02545 3/20 0.59
TSHR P16473 3/20 0.58
ALDH1A1 P00352 2/20 0.58
MAPK1 P28482 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C19 P33261 1/20 0.58
NR1H2 P55055 1/20 0.58
RNASEL Q05823 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
NPC1 O15118 1/20 0.57
MAPT P10636 1/20 0.57
RAB9A P51151 1/20 0.57
CNR2 P34972 1/20 0.57
TP53 P04637 1/20 0.55

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
SCHEMBL31125316 1.00 ESR1 (0.61) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL1038973 1.00 ESR1 (0.61) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL1042192 1.00 ESR1 (0.61) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL1038902 1.00 ESR1 (0.61) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL1042359 1.00 ESR1 (0.61) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL1040814 1.00 ESR1 (0.61) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL1041379 1.00 ESR1 (0.61) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL1041460 1.00 ESR1 (0.61) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL22497786 1.00 ESR1 (0.61) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL31125328 1.00 ESR1 (0.61) 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