SCHEMBL23217701

SCHEMBL23217701

O=C(O)CC(O)c1cc(Br)c2occc2c1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.35
MIF P14174 1/20 0.33
KMT2A Q03164 1/20 0.31
XDH P47989 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
CA9 Q16790 1/20 0.30

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
SCHEMBL23217823 0.81 CA9 (0.35) CA9
SCHEMBL23217501 0.75 UGT2B7 (0.38) CA9
SCHEMBL8770931 0.72 L3MBTL1 (0.37)
Hexane SCHEMBL23217895 0.71 PTPN1 (0.33) CA9
SCHEMBL23217832 0.71 MAOB (0.35) KMT2ACA9
SCHEMBL23217219 0.71 CTNNB1 (0.38) KMT2AXDHSLC22A12
SCHEMBL5987785 0.70 TTR (0.47) KMT2AXDHSLC22A12CA9
SCHEMBL23217589 0.69 CFD (0.46)
SCHEMBL8770980 0.69 SLC22A6 (0.37)
SCHEMBL21437695 0.67 RAB9A (0.38) KMT2AXDHSLC22A12

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