SCHEMBL5710175

SCHEMBL5710175

CCCCCCCCCC(c1c(C)cc(O)c(C)c1C)c1c(C)cc(O)c(C)c1C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
CYP2C19 P33261 1/20 0.37
TYR P14679 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GPR84 Q9NQS5 3/20 0.35
FFAR1 O14842 1/20 0.35
HTR1A P08908 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
PTGS2 P35354 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
SCHEMBL5710060 0.80 PTGS2 (0.46) GPR84PTGS2
SCHEMBL224494 0.76 CYP2D6 (0.51) TP53CYP2D6CYP2C9ALOX15CYP2C19
SCHEMBL11351849 0.74 ACHE (0.34) TP53CYP2D6CYP2C9ALOX15CYP2C19
SCHEMBL11356972 0.74 ACHE (0.34) TP53CYP2D6CYP2C9ALOX15CYP2C19
SCHEMBL11353096 0.74 ACHE (0.34) TP53CYP2D6CYP2C9ALOX15CYP2C19
SCHEMBL2800660 0.72 TYR (0.47) TYRMEN1KMT2ANPSR1GPR84
SCHEMBL29404559 0.72 TYR (0.47) TYRMEN1KMT2ANPSR1GPR84
SCHEMBL20520192 0.71 ESR1 (0.45) GPR84FFAR1LMNA
SCHEMBL20520281 0.71 ESR1 (0.45) GPR84FFAR1LMNA
SCHEMBL20520289 0.71 ESR1 (0.45) GPR84FFAR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1179435-B1 Reversible thermochromic composition having improved light-fastness and product comprising same PILOT INK CO LTD (JP) 2006-11-29 EP disclosed
US-6946168-B2 Photochromic phthalein dyes encapsulated in curable oligomers used as coatings on geometric shaped suports as designs THE PILOT INK CO., LTD. (JP) 2005-09-20 US disclosed
US-20040077743-A1 Photochromic phthalein dyes encapsulated in curable oligomers used as coatings on geometric shaped suports as designs THE PILOT INK CO., LTD. 2004-04-22 US disclosed
US-6638620-B2 Discoloration sensitivity THE PILOT INK CO., LTD. (JP) 2003-10-28 US disclosed
EP-1179435-A1 Reversible thermochromic composition having improved light-fastness and product comprising same The Pilot Ink Co., Ltd. (JP) 2002-02-13 EP disclosed