SCHEMBL9833540

SCHEMBL9833540

CCCC(=O)ON(CCc1ccc(C)o1)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.46
POLB P06746 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 2/20 0.39
USP2 O75604 1/20 0.38
GLA P06280 1/20 0.38
KDM4E B2RXH2 2/20 0.37
PKM P14618 2/20 0.36
MAPT P10636 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MAPK1 P28482 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
SCHEMBL9833545 0.82 ALOX5 (0.46) ALOX5POLBALDH1A1MEN1KMT2A
SCHEMBL9832426 0.73 ALOX5 (0.71) ALOX5POLBALDH1A1MEN1KMT2A
SCHEMBL9764824 0.72 NPC1 (0.43) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL8805996 0.70 ALOX5 (0.54) ALOX5ALDH1A1KMT2AGLAKDM4E
SCHEMBL11800602 0.70 MAPT (0.51) ALOX5POLBALDH1A1MEN1KMT2A
SCHEMBL8824436 0.68 ALDH1A1 (0.57) POLBALDH1A1MEN1KMT2ATSHR
SCHEMBL22110976 0.68 MAPT (0.50) ALOX5POLBALDH1A1MEN1KMT2A
Tetrabuthylammonium SCHEMBL9833807 0.68 ALOX5 (0.55) ALOX5POLBALDH1A1MEN1KMT2A
SCHEMBL8806385 0.67 PKM (0.53) ALOX5POLBALDH1A1MEN1KMT2A
SCHEMBL23735958 0.67 MAPT (0.46) ALOX5POLBALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0388429-A4 FURAN AND PYRROLE CONTAINING LIPOXYGENASE INHIBITING COMPOUNDS 1991-08-21 EP disclosed
EP-0388429-A1 FURAN AND PYRROLE CONTAINING LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1990-09-26 EP disclosed
WO-1989004299-A1 FURAN AND PYRROLE CONTAINING LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1989-05-18 WO disclosed