SCHEMBL8381971

SCHEMBL8381971

C=C(C)C(=O)OCCCCC(=Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.45
▸ APEX1 P27695 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ TSHR P16473 3/20 0.42
▸ ALOX5 P09917 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ PTGES O14684 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ DNM1 Q05193 2/20 0.36
▸ AKR1B10 O60218 1/20 0.36
▸ AKR1B1 P15121 1/20 0.36
▸ CISD1 Q9NZ45 1/20 0.35
▸ SLC16A3 O15427 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SLC16A1 P53985 1/20 0.35
▸ GPR35 Q9HC97 1/20 0.35
▸ ESR1 P03372 2/20 0.34

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
SCHEMBL8151217 0.86 HTT (0.43) POLBAPEX1HTTTDP1TSHR
SCHEMBL8157301 0.85 GRIK1 (0.44) POLBAPEX1HTTTDP1TSHR
SCHEMBL8150711 0.85 MEN1 (0.44) POLBAPEX1HTTTDP1TSHR
SCHEMBL8158359 0.84 POLB (0.41) POLBAPEX1HTTTDP1TSHR
SCHEMBL8156581 0.84 POLB (0.47) POLBAPEX1HTTTDP1TSHR
SCHEMBL8381829 0.83 POLB (0.45) POLBAPEX1HTTTDP1TSHR
SCHEMBL8153306 0.82 POLB (0.51) POLBAPEX1HTTTDP1TSHR
SCHEMBL8157213 0.82 POLB (0.43) POLBAPEX1HTTTDP1TSHR
SCHEMBL8153415 0.82 ALOX5 (0.42) POLBAPEX1HTTTDP1TSHR
SCHEMBL8158364 0.81 TDP1 (0.39) POLBAPEX1HTTTDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0611786-B1 Orientation layer for liquid crystals ROLIC AG (CH) 1999-04-14 — — EP disclosed
EP-0611786-A1 Orientation layer for liquid crystals F. HOFFMANN-LA ROCHE AG (CH) 1994-08-24 — — EP disclosed
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