SCHEMBL2453336

SCHEMBL2453336

CCOC(=O)c1cc(C)ccc1[S]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 0.49
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HSD17B10 Q99714 2/20 0.46
HPGD P15428 2/20 0.46
RAB9A P51151 2/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
MAPK1 P28482 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 3/20 0.46
GAA P10253 3/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 2/20 0.46

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
SCHEMBL2453937 0.85 TSHR (0.57) TSHRALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL301748 0.83 TSHR (0.64) TSHRCA12CA1CA2CA7
SCHEMBL10431634 0.81 CYP46A1 (0.53) TSHRCA12CA1CA2CA7
SCHEMBL4834369 0.81 MEN1 (0.60) TSHRCA12CA1CA2CA7
SCHEMBL1641611 0.80 CA12 (0.74) TSHRCA12CA1CA2CA7
SCHEMBL3903990 0.80 TSHR (0.55) TSHRCA12CA1CA2CA7
SCHEMBL13469254 0.80 TSHR (0.55) TSHRCA12CA1CA2CA7
SCHEMBL1814266 0.79 TSHR (0.53) TSHRCA12CA1CA2CA7
SCHEMBL5739621 0.79 TSHR (0.53) TSHRCA12CA1CA2CA7
SCHEMBL2453339 0.79 TSHR (0.53) TSHRCA12CA1CA2CA7

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