SCHEMBL3892887

SCHEMBL3892887

CCCCCCOc1c(C#N)c(C#N)c(Cl)c(SCCCC)c1SCCCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.36
KDM4E B2RXH2 6/20 0.34
HTT P42858 3/20 0.34
MEN1 O00255 2/20 0.34
GAA P10253 2/20 0.34
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TSHR P16473 2/20 0.34
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 7/20 0.33
HPGD P15428 5/20 0.33
MAPT P10636 1/20 0.33
STAT6 P42226 1/20 0.33
HIF1A Q16665 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
THRA P10827 2/20 0.32
THRB P10828 2/20 0.32
LPAR2 Q9HBW0 3/20 0.31

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
SCHEMBL2454814 0.84 AR (0.36) ARKDM4EHTTMEN1GAA
SCHEMBL2451318 0.79 LTA4H (0.36) ARKDM4EHTTMEN1GAA
SCHEMBL8770595 0.76 NR5A1 (0.39) KDM4EHTTMEN1GAAKMT2A
SCHEMBL27603955 0.75 AR (0.43) ARKDM4EHTTMEN1GAA
SCHEMBL17238684 0.75 THRA (0.36) KDM4EHTTMEN1GAAKMT2A
SCHEMBL21091617 0.72 NR5A1 (0.38) KDM4EHTTL3MBTL1ALDH1A1HPGD
SCHEMBL10339287 0.70 LTA4H (0.39) KDM4EHTTMEN1KMT2AL3MBTL1
SCHEMBL2456433 0.68 ALDH1A1 (0.35) KDM4EHTTMEN1GAAKMT2A
SCHEMBL16502323 0.68 FAAH (0.44) KDM4EHTTMEN1KMT2AL3MBTL1
SCHEMBL9685144 0.66 THRA (0.45) TSHRALDH1A1THRATHRBLPAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7473777-B2 Method for production of halogen-containing phthalocyanine compound NIPPON SHOKUBAI CO., LTD. (JP) 2009-01-06 US 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