SCHEMBL23217812

SCHEMBL23217812

O=C(O)COc1c(CO)cc(Br)c2occc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.45
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
PTPN1 P18031 3/20 0.38
GAA P10253 1/20 0.38
KCNA2 P16389 1/20 0.37
KCNA5 P22460 1/20 0.37
KCNA1 Q09470 1/20 0.37
PKM P14618 1/20 0.37
LMNA P02545 1/20 0.36
KCNA3 P22001 1/20 0.36
PTPRC P08575 1/20 0.35
PTPRF P10586 1/20 0.35
PTPRA P18433 1/20 0.35
PTPRB P23467 1/20 0.35

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
SCHEMBL23217508 0.90 PTPN1 (0.38) PTGDR2ALOX15TSHRHSD17B10KDM4E
SCHEMBL23241702 0.83 KDM4E (0.39) TSHRHSD17B10MAPTKDM4EALDH1A1
SCHEMBL30009732 0.83 KDM4E (0.39) TSHRHSD17B10MAPTKDM4EALDH1A1
SCHEMBL23217660 0.81 KCNA3 (0.36) ALOX15MAPTKDM4EALDH1A1POLB
SCHEMBL23217709 0.81 PTGDR2 (0.46) PTGDR2ALOX15TSHRHSD17B10KDM4E
SCHEMBL30010435 0.81 ALDH1A1 (0.41) HSD17B10KDM4EALDH1A1LMNAKCNA3
SCHEMBL23217831 0.79 CYP3A4 (0.43) ALOX15MAPTKDM4EALDH1A1POLB
SCHEMBL23217270 0.76 KCNA2 (0.40) HSD17B10KCNA2KCNA5KCNA1KCNA3
SCHEMBL23217816 0.76 HTR2A (0.34) ALOX15KDM4EALDH1A1POLBKCNA2
SCHEMBL23241694 0.73 KDM4E (0.39) TSHRHSD17B10MAPTKDM4EALDH1A1

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