SCHEMBL9799608

SCHEMBL9799608

CCCCCCCCOc1ccc(C(=O)Oc2ccc3cc(C(=O)O[C@@H](C)CCCCCC)ccc3c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.54
▸ NPC1 O15118 3/20 0.53
▸ LMNA P02545 3/20 0.53
▸ NFKB1 P19838 3/20 0.53
▸ NFKB2 Q00653 3/20 0.53
▸ RELA Q04206 3/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ THRA P10827 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ MAPT P10636 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ PLA2G4B P0C869 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ PRSS1 P07477 1/20 0.46
▸ ACR P10323 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
SCHEMBL9779497 1.00 TSHR (0.54) TSHRNPC1LMNANFKB1NFKB2
SCHEMBL9799611 1.00 TSHR (0.54) TSHRNPC1LMNANFKB1NFKB2
SCHEMBL29560770 0.97 RARB (0.51) TSHRNPC1LMNANFKB1NFKB2
SCHEMBL9799447 0.96 NPC1 (0.53) TSHRNPC1LMNANFKB1NFKB2
SCHEMBL9799464 0.92 THRA (0.56) TSHRTHRATP53PLA2G4BRARB
SCHEMBL9193080 0.91 NPC1 (0.63) TSHRNPC1LMNANFKB1NFKB2
SCHEMBL9754649 0.91 NPC1 (0.63) TSHRNPC1LMNANFKB1NFKB2
SCHEMBL5362956 0.91 NPC1 (0.63) TSHRNPC1LMNANFKB1NFKB2
SCHEMBL5362962 0.91 NPC1 (0.63) TSHRNPC1LMNANFKB1NFKB2
SCHEMBL91875 0.91 NPC1 (0.63) TSHRNPC1LMNANFKB1NFKB2

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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