SCHEMBL7791045

SCHEMBL7791045

CCCCCCC(F)COc1ccc(-c2ncc(-c3ccc(C(=O)O)cc3)cn2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 1/20 0.47
▸ RARB P10826 12/20 0.47
▸ XDH P47989 1/20 0.41
▸ RARA P10276 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MTOR P42345 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ THRA P10827 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ PLA2G4B P0C869 1/20 0.39
▸ RARG P13631 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ TSHR P16473 1/20 0.39

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
SCHEMBL7791057 0.90 MGLL (0.39) PTPN11RARBMAPTTHRATHRB
SCHEMBL7793989 0.86 THRA (0.35) PTPN11RARBXDHRARATHRA
SCHEMBL8456017 0.85 LMNA (0.52) PTPN11RARBALDH1A1THRATHRB
SCHEMBL8456011 0.85 LMNA (0.52) PTPN11RARBALDH1A1THRATHRB
SCHEMBL8448952 0.85 LMNA (0.52) PTPN11RARBALDH1A1THRATHRB
SCHEMBL8024694 0.83 RARB (0.46) RARBRARAMEN1ALDH1A1MAPT
SCHEMBL7795427 0.82 THRA (0.35) PTPN11RARBRARATHRATHRB
SCHEMBL7793990 0.82 AAK1 (0.35) PTPN11RARBXDHRARATHRA
SCHEMBL7791058 0.82 FAAH (0.37) PTPN11RARBRARATHRATHRB
SCHEMBL7795422 0.80 MGLL (0.37) PTPN11RARBTHRATHRB

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-0821050-B1 Optically active compound and antiferroelectric liquid crystal composition containing the same SEMICONDUCTOR ENERGY LAB (JP) 2001-11-28 — — EP disclosed
US-5820782-A LOW THRESHOLD VOLTAGE AND LOW VISCOSITY; PYRIMIDINE-BASED COMPOUND TAKASAGO INTERNATIONAL CORPORATION (JP) 1998-10-13 — — US disclosed
EP-0821050-A1 Optically active compound and antiferroelectric liquid crystal composition containing the same Takasago International Corporation (JP) 1998-01-28 — — EP disclosed
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