SCHEMBL2457587

SCHEMBL2457587

CCOC(=O)c1c(F)c(F)c([S])c(F)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.47
HPGD P15428 4/20 0.46
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
GAA P10253 3/20 0.46
MAPT P10636 3/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
NPSR1 Q6W5P4 3/20 0.44
RAB9A P51151 3/20 0.44
HSD17B10 Q99714 2/20 0.44
TP53 P04637 2/20 0.44
NPC1 O15118 2/20 0.44
MITF O75030 1/20 0.44

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
SCHEMBL522227 0.89 ESR1 (0.55) ESR1HPGDALDH1A1SMN1; SMN2GAA
SCHEMBL196046 0.87 ESR1 (0.53) ESR1HPGDALDH1A1SMN1; SMN2GAA
SCHEMBL522219 0.85 ESR1 (0.52) ESR1HPGDALDH1A1SMN1; SMN2GAA
Alcohol SCHEMBL28160506 0.83 SMN1; SMN2 (0.50) ESR1HPGDALDH1A1SMN1; SMN2GAA
SCHEMBL6578769 0.83 SMN1; SMN2 (0.53) ESR1HPGDALDH1A1SMN1; SMN2GAA
SCHEMBL2458847 0.82 ESR1 (0.49) ESR1HPGDALDH1A1SMN1; SMN2GAA
SCHEMBL2454093 0.82 ESR1 (0.68) ESR1HPGDALDH1A1SMN1; SMN2GAA
SCHEMBL522265 0.82 ALDH1A1 (0.49) ESR1HPGDALDH1A1SMN1; SMN2GAA
SCHEMBL7155146 0.80 ALDH1A1 (0.55) ESR1HPGDALDH1A1SMN1; SMN2GAA
SCHEMBL27622787 0.80 ESR1 (0.47) ESR1HPGDALDH1A1SMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1577350-B1 Method for production of halogen-containing phthalocyanine compound NIPPON CATALYTIC CHEM IND (JP) 2011-09-14 EP disclosed
US-7473777-B2 Method for production of halogen-containing phthalocyanine compound NIPPON SHOKUBAI CO., LTD. (JP) 2009-01-06 US disclosed
CN-1680380-A Method for production of halogen-containing phthalocyanine compound NIPPON CATALYTIC CHEM IND (JP) 2005-10-12 CN disclosed
EP-1577350-A1 Method for production of halogen-containing phthalocyanine compound Nippon Shokubai Co., Ltd. (JP) 2005-09-21 EP disclosed
US-20050203293-A1 Method for production of halogen-containing phthalocyanine compound NIPPON SHOKUBAI CO., LTD. (JP) 2005-09-15 US disclosed
EP-0523959-B1 Novel phthalocyanine compounds, production method thereof, and near infrared ray absorption materials containing the same NIPPON CATALYTIC CHEM IND (JP) 1999-10-13 EP disclosed
US-5359056-A Lightfastness, solvent solubility NIPPON SHOKUBAI CO., LTD. (JP) 1994-10-25 US disclosed
EP-0523959-A2 Novel phthalocyanine compounds, production method thereof, and near infrared ray absorption materials containing the same NIPPON SHOKUBAI CO., LTD. (JP) 1993-01-20 EP disclosed