SCHEMBL23733197

SCHEMBL23733197

COC(=O)c1c(C)cnc2ccc(O)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.52
TSHR P16473 2/20 0.52
GABRP O00591 1/20 0.47
GABRD O14764 1/20 0.47
GABRA1 P14867 1/20 0.47
GABRB1 P18505 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47
GABRA2 P47869 1/20 0.47
GABRB2 P47870 1/20 0.47
GABRA4 P48169 1/20 0.47
UBE2N P61088 1/20 0.47
GABRE P78334 1/20 0.47
GABRA6 Q16445 1/20 0.47
GABRG1 Q8N1C3 1/20 0.47
GABRG3 Q99928 1/20 0.47
GABRQ Q9UN88 1/20 0.47
CYP3A4 P08684 3/20 0.45

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
SCHEMBL30690080 0.85 DHODH (0.54) HTTTSHRMAPTKDM4EGAA
SCHEMBL15414841 0.83 MEN1 (0.59) HTTTSHRMAPTKDM4EHPGD
SCHEMBL10091835 0.79 CA12 (0.49) HTTTSHRGABRPGABRDGABRA1
SCHEMBL9907354 0.75 PAX8 (0.48) HTTTSHRMAPTKDM4EHPGD
SCHEMBL29249689 0.74 GABRP (0.45) HTTTSHRGABRPGABRDGABRA1
SCHEMBL24728976 0.74 LMNA (0.52) HTTTSHRGABRPGABRDGABRA1
SCHEMBL30647543 0.74 LMNA (0.52) HTTTSHRGABRPGABRDGABRA1
SCHEMBL2012625 0.74 PLA2G2A (0.50) HTTTSHRCYP3A4MAPTKDM4E
SCHEMBL9907355 0.73 PAX8 (0.49) HTTTSHRMAPTKDM4EHPGD
SCHEMBL5963018 0.72 CYP3A4 (0.47) HTTTSHRGABRPGABRDGABRA1

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
WO-2021155292-A1 FIBROBLAST ACTIVATION PROTEIN (FAP) - TARGETED ANTIFIBROTIC THERAPY LOW PHILIP STEWART (US) 2021-08-05 WO disclosed