SCHEMBL9628337

SCHEMBL9628337

CCCCCCCCCCOc1ccc(C(=O)O)c(Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.67
THRA P10827 1/20 0.67
PTPN11 Q06124 4/20 0.61
TP53 P04637 1/20 0.59
TSHR P16473 1/20 0.59
PLA2G4B P0C869 1/20 0.57
PLA2G2A P14555 2/20 0.57
RARB P10826 2/20 0.55

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
SCHEMBL9627118 1.00 THRB (0.67) THRBTHRAPTPN11TP53TSHR
SCHEMBL20556237 1.00 THRB (0.67) THRBTHRAPTPN11TP53TSHR
SCHEMBL20556403 1.00 THRB (0.67) THRBTHRAPTPN11TP53TSHR
SCHEMBL9626788 1.00 THRB (0.67) THRBTHRAPTPN11TP53TSHR
SCHEMBL11062461 1.00 THRB (0.67) THRBTHRAPTPN11TP53TSHR
SCHEMBL29492898 0.98 THRB (0.64) THRBTHRAPTPN11TP53TSHR
SCHEMBL3417202 0.98 THRB (0.64) THRBTHRAPTPN11TP53TSHR
SCHEMBL1750089 0.95 THRB (0.60) THRBTHRAPTPN11TP53TSHR
SCHEMBL3417416 0.89 KMT2A (0.54) THRBTHRAPTPN11TP53TSHR
SCHEMBL11706311 0.88 THRB (0.67) THRBTHRAPTPN11TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0188222-B1 NOVEL LIQUID CRISTALLINE COMPOUNDS HAVING SUBSTITUENTS DAINIPPON INK AND CHEMICALS, INC. (JP) 1992-04-29 EP disclosed
US-4943386-A FERROELECTRIC, GOOD RESPONSE AND MEMORY DAINIPPON INK & CHEMICALS, INC. (JP) 1990-07-24 US disclosed
US-4828754-A TILT-TYPE CHIRAL SMECTIC PHASE DAINIPPON INK & CHEMICALS, INC. (JP) 1989-05-09 US disclosed
EP-0188222-A2 Novel liquid cristalline compounds having substituents DAINIPPON INK AND CHEMICALS, INC. (JP) 1986-07-23 EP disclosed