SCHEMBL2456299

SCHEMBL2456299

CCCCOC(=O)c1cc([S])ccc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.58
TDP1 Q9NUW8 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
MAPK1 P28482 3/20 0.53
CYP3A4 P08684 3/20 0.53
TP53 P04637 1/20 0.53
ESR1 P03372 5/20 0.53
ALDH1A1 P00352 7/20 0.51
LMNA P02545 3/20 0.51
HSD17B10 Q99714 2/20 0.51
CYP1A2 P05177 3/20 0.47
CYP2C19 P33261 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP2D6 P10635 1/20 0.47
NR1H2 P55055 1/20 0.47
RNASEL Q05823 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP2C9 P11712 2/20 0.46
PDE4D Q08499 1/20 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
SCHEMBL2453761 0.84 TSHR (0.58) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL2453762 0.84 ESR1 (0.59) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL2454982 0.83 TSHR (0.57) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL27732711 0.82 TSHR (0.55) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL28787616 0.81 TSHR (0.54) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL4627375 0.80 TSHR (0.65) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL11336214 0.79 TSHR (0.60) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL6057039 0.79 TSHR (0.80) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL27823840 0.79 TSHR (0.51) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL10888138 0.78 TSHR (0.62) TSHRTDP1L3MBTL1MAPK1CYP3A4

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