SCHEMBL9626804

SCHEMBL9626804

CCCCCCCCCCOc1ccc(C(=O)O)cc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.68
THRB P10828 1/20 0.68
ALDH1A1 P00352 1/20 0.64
HPGD P15428 1/20 0.64
PTPN11 Q06124 2/20 0.63
TP53 P04637 1/20 0.60
TSHR P16473 1/20 0.60
PLA2G4B P0C869 1/20 0.59
PLA2G2D Q9UNK4 1/20 0.59
PLA2G2A P14555 2/20 0.58
RARB P10826 3/20 0.56

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
SCHEMBL9306386 1.00 THRA (0.68) THRATHRBALDH1A1HPGDPTPN11
SCHEMBL9626608 1.00 THRA (0.68) THRATHRBALDH1A1HPGDPTPN11
SCHEMBL18682278 1.00 THRA (0.68) THRATHRBALDH1A1HPGDPTPN11
SCHEMBL11315317 1.00 THRA (0.68) THRATHRBALDH1A1HPGDPTPN11
SCHEMBL5348150 1.00 THRA (0.68) THRATHRBALDH1A1HPGDPTPN11
Hydrochloric Acid SCHEMBL9626731 0.98 THRA (0.67) THRATHRBALDH1A1HPGDPTPN11
Hydrochloric Acid SCHEMBL9626807 0.98 THRA (0.67) THRATHRBALDH1A1HPGDPTPN11
SCHEMBL566466 0.98 THRA (0.66) THRATHRBALDH1A1HPGDPTPN11
SCHEMBL566426 0.95 THRA (0.62) THRATHRBALDH1A1HPGDPTPN11
SCHEMBL177169 0.91 THRA (0.56) THRATHRBALDH1A1HPGDPTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4828754-A TILT-TYPE CHIRAL SMECTIC PHASE DAINIPPON INK & CHEMICALS, INC. (JP) 1989-05-09 US claimed
EP-0188222-B1 NOVEL LIQUID CRISTALLINE COMPOUNDS HAVING SUBSTITUENTS DAINIPPON INK AND CHEMICALS, INC. (JP) 1992-04-29 EP disclosed
US-5098599-A Aromatic esters with sulfide groups as liquid crystals MITSUBISHI RAYON COMPANY LTD. (JP) 1992-03-24 US disclosed
US-4943386-A FERROELECTRIC, GOOD RESPONSE AND MEMORY DAINIPPON INK & CHEMICALS, INC. (JP) 1990-07-24 US disclosed
EP-0354355-A1 Optically active compound and liquid crystal composition MITSUBISHI RAYON CO., LTD. (JP) 1990-02-14 EP 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