SCHEMBL5710009

SCHEMBL5710009

CCCCCCCCCC(c1ccc(O)cc1Br)c1ccc(O)cc1Br

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ TYR P14679 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALOX5 P09917 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ PTGS2 P35354 3/20 0.40
▸ ESR1 P03372 2/20 0.40
▸ ADRA2A P08913 2/20 0.40
▸ ADORA3 P0DMS8 2/20 0.40
▸ TACR2 P21452 2/20 0.40
▸ SLC6A2 P23975 2/20 0.40
▸ SLC6A4 P31645 2/20 0.40
▸ SLC6A3 Q01959 2/20 0.40
▸ LCK P06239 2/20 0.40

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
SCHEMBL31544881 0.83 TYR (0.53) TP53CYP3A4TYRHTTMEN1
SCHEMBL5142259 0.82 TP53 (0.44) TP53CYP3A4TYRHTTMEN1
SCHEMBL10938970 0.82 TP53 (0.44) TP53CYP3A4TYRHTTMEN1
SCHEMBL31545402 0.81 TYR (0.50) TP53CYP3A4TYRHTTMEN1
SCHEMBL5709904 0.81 TYR (0.46) TP53CYP3A4TYRHTTMEN1
SCHEMBL5709921 0.81 ESR1 (0.47) TP53CYP3A4TYRHTTMEN1
SCHEMBL10945234 0.80 ESR1 (0.42) TP53CYP3A4TYRHTTMEN1
SCHEMBL11220839 0.79 TYR (0.38) CYP3A4TYRMAPTALOX15TSHR
SCHEMBL11092453 0.78 CYSLTR2 (0.43) TP53CYP3A4TYRHTTMEN1
SCHEMBL9424107 0.76 CYSLTR2 (0.39) TP53CYP3A4TYRHTTMEN1

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
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