SCHEMBL6735243

SCHEMBL6735243

CCSCC1=C(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)c2ccccc2C1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.51
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PTGS2 P35354 5/20 0.37
▸ PTGS1 P23219 5/20 0.37
▸ EGFR P00533 1/20 0.37
▸ ERBB2 P04626 1/20 0.37

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
SCHEMBL6730112 0.83 PTPN1 (0.57) PTPN1CA1CA2NPC1LMNA
SCHEMBL6734019 0.80 PTPN1 (0.53) PTPN1CA1CA2NPC1LMNA
SCHEMBL3695040 0.77 PTPN1 (0.62) PTPN1CA1CA2NPC1LMNA
SCHEMBL3694407 0.74 PTPN1 (0.59) PTPN1CA1CA2NPC1LMNA
SCHEMBL3690533 0.74 PTPN1 (0.59) PTPN1CA1CA2NPC1LMNA
SCHEMBL3692501 0.73 MAPT (0.59) PTPN1CA1CA2NPC1LMNA
SCHEMBL3692020 0.73 PTPN1 (0.61) PTPN1CA1CA2NPC1LMNA
SCHEMBL3692363 0.70 PTPN1 (0.45) PTPN1CA1CA2MEN1GAA
SCHEMBL3687863 0.69 PTPN1 (0.57) PTPN1CA1CA2NPC1LMNA
SCHEMBL31006760 0.69 CA2 (0.67) PTPN1CA1CA2SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040152080-A1 Method for detecting cytosine methylations QIAGEN GMBH (DE) 2004-08-05 — — US disclosed
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