SCHEMBL25896133

SCHEMBL25896133

C=CC(=O)OC(C)(C)CC(C)Oc1ccc2cc(-c3ccc(OC)cc3C(F)(F)F)oc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.40
▸ AKR1C3 P42330 2/20 0.36
▸ AKR1C2 P52895 2/20 0.36
▸ F2RL3 Q96RI0 2/20 0.35
▸ APP P05067 3/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.33
▸ GAA P10253 3/20 0.33
▸ HPGD P15428 2/20 0.33
▸ MAOB P27338 2/20 0.33
▸ SLC16A3 O15427 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ LIMK1 P53667 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ PLA2G1B P04054 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ HTT P42858 1/20 0.33

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
SCHEMBL23893409 0.86 THRB (0.41) —
SCHEMBL23893631 0.81 MAPT (0.41) ALDH1A1GAAHPGDKDM4EMEN1
SCHEMBL23395514 0.81 CYP3A4 (0.35) PTPN1RXFP1ALDH1A1HPGDKDM4E
SCHEMBL26854645 0.80 KLK7 (0.42) RXFP1ALDH1A1GAAHPGDMAOB
SCHEMBL25896587 0.78 CYP1A2 (0.33) PTPN1APPCYP2C19
SCHEMBL23395487 0.77 THRB (0.39) PTPN1
SCHEMBL27107049 0.77 THRB (0.39) RXFP1ALDH1A1GAAHPGDMAOB
SCHEMBL23395617 0.77 THRB (0.42) MAOBMEN1KMT2A
SCHEMBL23395587 0.77 PTPN1 (0.58) PTPN1F2RL3APPALDH1A1GAA
SCHEMBL22593635 0.77 PTPN1 (0.39) PTPN1AKR1C3AKR1C2APPALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3889135-B1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES AMO Ireland (IE) 2023-08-02 — — EP disclosed
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