SCHEMBL9799464

SCHEMBL9799464

CCCCCCCCOc1ccc2cc(C(=O)O[C@@H](C)CCCCCC)ccc2c1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 1/20 0.56
▸ TSHR P16473 2/20 0.53
▸ TP53 P04637 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.49
▸ PLA2G4B P0C869 2/20 0.49
▸ RARB P10826 3/20 0.47
▸ PPARG P37231 1/20 0.46

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
SCHEMBL9799447 0.94 NPC1 (0.53) THRATSHRTP53ALDH1A1
SCHEMBL9799611 0.92 TSHR (0.54) THRATSHRTP53PLA2G4BRARB
SCHEMBL9779497 0.92 TSHR (0.54) THRATSHRTP53PLA2G4BRARB
SCHEMBL9799608 0.92 TSHR (0.54) THRATSHRTP53PLA2G4BRARB
SCHEMBL10429590 0.92 TSHR (0.53) THRATSHRTP53ALDH1A1PLA2G4B
SCHEMBL9458305 0.91 ALDH1A1 (0.57) THRATSHRALDH1A1
SCHEMBL9458665 0.91 ALDH1A1 (0.57) THRATSHRALDH1A1
SCHEMBL9222151 0.90 TSHR (0.51) THRATSHRTP53ALDH1A1PLA2G4B
SCHEMBL9217693 0.90 TSHR (0.51) THRATSHRTP53ALDH1A1PLA2G4B
SCHEMBL9219869 0.90 TSHR (0.51) THRATSHRTP53ALDH1A1PLA2G4B

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
US-5061399-A FERROELECTRICITY THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1991-10-29 — — US disclosed
EP-0302875-B1 OPTICALLY ACTIVE NAPHTHALENE COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THEM THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN (GB) 1991-02-27 — — EP disclosed
EP-0302875-A1 OPTICALLY ACTIVE NAPHTHALENE COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THEM. SECR DEFENCE BRIT (GB) 1989-02-15 — — EP disclosed
WO-1987006577-A2 OPTICALLY ACTIVE NAPHTHALENE COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THEM THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNI (GB) 1987-11-05 — — WO disclosed
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