SCHEMBL23217709

SCHEMBL23217709

O=Cc1cc(Br)c2occc2c1OCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.46
TSHR P16473 2/20 0.38
POLB P06746 2/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTPN1 P18031 3/20 0.37
KCNA2 P16389 1/20 0.36
KCNA5 P22460 1/20 0.36
KCNA1 Q09470 1/20 0.36
PKM P14618 1/20 0.36
KCNA3 P22001 2/20 0.36
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
NLRP3 Q96P20 1/20 0.34
KMT2A Q03164 1/20 0.34
PSEN1 P49768 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
SCHEMBL23217654 0.83 ALDH1A1 (0.38) TSHRKCNA2KCNA5KCNA1KCNA3
SCHEMBL23217206 0.82 PTPN1 (0.37) POLBPTPN1KCNA2KCNA5KCNA1
SCHEMBL23217508 0.81 PTPN1 (0.38) PTGDR2TSHRPOLBPTPN1KCNA2
SCHEMBL23217812 0.81 PTGDR2 (0.45) PTGDR2TSHRPOLBPTPN1KCNA2
SCHEMBL29481725 0.79 ALDH1A1 (0.36) TSHRTDP1PTPN1KCNA2PKM
SCHEMBL19775924 0.79 ALDH1A1 (0.36) TSHRTDP1PTPN1KCNA2PKM
SCHEMBL21468873 0.79 ALDH1A1 (0.36) TSHRTDP1PTPN1KCNA2PKM
SCHEMBL23217746 0.78 NLRP3 (0.43) POLBPTPN1KCNA3ALOX15ALDH1A1
SCHEMBL23217471 0.77 KCNA2 (0.39) KCNA2KCNA5KCNA1KCNA3KMT2A
SCHEMBL23217221 0.75 PTPN1 (0.38) POLBPTPN1KCNA2KCNA3ALOX15

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-2021072156-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 WO disclosed