SCHEMBL8456017

SCHEMBL8456017

CCCCCC[C@@H](F)COc1ccc(C(=O)O)cc1F

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ THRA P10827 1/20 0.52
▸ THRB P10828 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ PLA2G2D Q9UNK4 1/20 0.47
▸ PTPN11 Q06124 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ RARB P10826 1/20 0.46
▸ PLA2G2A P14555 1/20 0.46
▸ PLA2G4B P0C869 2/20 0.46
▸ TAS1R3 Q7RTX0 1/20 0.44
▸ TAS1R1 Q7RTX1 1/20 0.44

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
SCHEMBL8456011 1.00 LMNA (0.52) LMNAMAPK1HTTRAB9ATHRA
SCHEMBL8448952 1.00 LMNA (0.52) LMNAMAPK1HTTRAB9ATHRA
SCHEMBL7791045 0.85 PTPN11 (0.47) THRATHRBALDH1A1PTPN11TP53
SCHEMBL10338744 0.85 NPC1 (0.50) LMNATHRATHRBTP53TSHR
SCHEMBL9440043 0.84 THRA (0.68) LMNAMAPK1HTTRAB9ATHRA
SCHEMBL9437150 0.84 THRA (0.68) LMNAMAPK1HTTRAB9ATHRA
SCHEMBL5347089 0.84 THRA (0.68) LMNAMAPK1HTTRAB9ATHRA
SCHEMBL15731804 0.84 THRA (0.68) LMNAMAPK1HTTRAB9ATHRA
SCHEMBL9440284 0.84 THRA (0.68) LMNAMAPK1HTTRAB9ATHRA
SCHEMBL5358465 0.84 THRA (0.68) LMNAMAPK1HTTRAB9ATHRA

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
US-5861109-A Liquid crystal materials, mixtures and devices THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND OF DEFENCE EVALUATION RESEARCH AGENCY (GB) 1999-01-19 — — US disclosed
EP-0703955-A1 LIQUID CRYSTAL MATERIALS, MIXTURES AND DEVICES SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOV. OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1996-04-03 — — EP disclosed
WO-1994029405-A1 LIQUID CRYSTAL MATERIALS, MIXTURES AND DEVICES THE SECRETARY OF STATE FOR DEFENCE (GB) 1994-12-22 — — WO disclosed
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