SCHEMBL7861790

SCHEMBL7861790

Cc1cccc(C(=O)OCC2CCCO2)c1Oc1c(F)c(F)c(C#N)c(C#N)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ POLB P06746 2/20 0.40
▸ KDM4E B2RXH2 4/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ GAA P10253 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ LDHA P00338 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ NR4A1 P22736 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ RECQL P46063 1/20 0.38

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
SCHEMBL7866658 0.87 OXTR (0.41) L3MBTL1LDHA
SCHEMBL7869301 0.83 TSHR (0.43) ALDH1A1SMN1; SMN2NPSR1POLBKDM4E
SCHEMBL7866695 0.79 TSHR (0.46) ALDH1A1SMN1; SMN2NPSR1POLBKDM4E
SCHEMBL7866694 0.73 MEN1 (0.33) ALDH1A1SMN1; SMN2NPSR1KDM4EMAPT
SCHEMBL1063571 0.73 LMNA (0.54) ALDH1A1POLBKDM4EMAPTLMNA
SCHEMBL7870097 0.71 AR (0.42) ALDH1A1SMN1; SMN2NPSR1POLBKDM4E
SCHEMBL7869035 0.71 MEN1 (0.32) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11649952 0.69 MGLL (0.50) ALDH1A1POLBKDM4EMAPTLMNA
SCHEMBL1605649 0.69 MAPT (0.49) ALDH1A1POLBKDM4EL3MBTL1GAA
SCHEMBL7870116 0.68 TSHR (0.45) ALDH1A1POLBKDM4EMAPTKMT2A

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
EP-0882768-B1 Method for producing of phthalocyanine compound NIPPON CATALYTIC CHEM IND (JP) 2001-12-19 — — EP disclosed
US-6034236-A REACTING A PHTHALONITRILE WITH A METAL OXIDE IN PRESENCE OF A SULFONIC ACID CATALYST NIPPON SHOKUBAI CO., LTD. (JP) 2000-03-07 — — US disclosed
EP-0882768-A2 Method for producing of phthalocyanine compound NIPPON SHOKUBAI CO., LTD. (JP) 1998-12-09 — — EP disclosed
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