Hexane

Hexane

SCHEMBL23217895

CC(O)c1cc(Br)c2occc2c1.CCCCCC

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.33
UGT2B7 P16662 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
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
SCHEMBL23217501 0.91 UGT2B7 (0.38) UGT2B7KDM4EMAOACA9
SCHEMBL23217701 0.71 FFAR1 (0.35) CA9
SCHEMBL23217832 0.71 MAOB (0.35) KDM4EMAOAMAOBCA9
SCHEMBL3310919 0.70 CYP3A4 (0.42) UGT2B7KDM4EMAOAMAOB
SCHEMBL23217823 0.68 CA9 (0.35) KDM4ECA9
SCHEMBL22042249 0.67 TYR (0.39) KDM4E
SCHEMBL2463440 0.66 MAOB (0.45) KDM4EMAOAMAOB
SCHEMBL5987250 0.65 TSHR (0.32) CA9
SCHEMBL16426152 0.65 GPR35 (0.37) PTPN1MAOAMAOB
SCHEMBL31550143 0.65 MAOA (0.36) KDM4EMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4041717-A1 ORAL COMPLEMENT FACTOR D INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2022-08-17 EP disclosed
WO-2021072156-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 WO disclosed