SCHEMBL5710020

SCHEMBL5710020

CCCCCCCCCC(c1cc(C)c(O)c(C)c1C)c1cc(C)c(O)c(C)c1C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SOAT2 O75908 1/20 0.40
ACAT1 P24752 1/20 0.40
SOAT1 P35610 1/20 0.40
ESR1 P03372 2/20 0.39
TP53 P04637 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36
TYR P14679 1/20 0.36
TOP1 P11387 2/20 0.35
GPR84 Q9NQS5 3/20 0.34
FFAR1 O14842 1/20 0.34
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.33
PTGS2 P35354 1/20 0.33
PLA2G2A P14555 1/20 0.33
PLA2G5 P39877 1/20 0.33

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
SCHEMBL9820578 0.87 TOP1 (0.44) SOAT2ACAT1SOAT1ESR1TYR
SCHEMBL12339853 0.86 ESR1 (0.36) SOAT2ACAT1SOAT1ESR1TP53
SCHEMBL11706703 0.84 MEN1 (0.34) TP53CYP2D6CYP2C9ALOX15CYP2C19
SCHEMBL12339845 0.84 TP53 (0.35) SOAT2ACAT1SOAT1ESR1TP53
SCHEMBL11234390 0.80 ESR1 (0.39) ESR1TP53CYP2D6CYP2C9ALOX15
SCHEMBL14493473 0.80 ESR1 (0.39) ESR1TP53CYP2D6CYP2C9ALOX15
SCHEMBL11451555 0.80 ESR1 (0.39) ESR1TP53CYP2D6CYP2C9ALOX15
SCHEMBL12339842 0.79 TP53 (0.36) SOAT2ACAT1SOAT1ESR1TP53
SCHEMBL28237571 0.78 ESR1 (0.38) SOAT2ACAT1SOAT1ESR1TP53
SCHEMBL224494 0.78 CYP2D6 (0.51) ESR1TP53CYP2D6CYP2C9ALOX15

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