SCHEMBL30062012

SCHEMBL30062012

CCCCOC(=O)NC1(CO)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.44
ACHE P22303 14/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
MCL1 Q07820 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ATM Q13315 1/20 0.40
TSHR P16473 1/20 0.38

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
SCHEMBL3685791 0.92 EPHX1 (0.41) EPHX1ACHEALDH1A1HPGDKDM4E
SCHEMBL1954999 0.80 EPHX1 (0.42) EPHX1ACHEALDH1A1HPGDKDM4E
SCHEMBL15312720 0.79 EPHX1 (0.41) EPHX1ACHEALDH1A1HPGDKDM4E
SCHEMBL20447617 0.78 MAPT (0.33) ACHEMAPT
SCHEMBL8303913 0.78 EPHX1 (0.40) EPHX1ACHEALDH1A1HPGDKDM4E
SCHEMBL30292346 0.77 EPHX1 (0.42) EPHX1ACHEALDH1A1NPC1RAB9A
SCHEMBL4722846 0.76 ALDH1A1 (0.41) EPHX1ACHEALDH1A1HPGDKDM4E
SCHEMBL2722735 0.76 EPHX1 (0.44) EPHX1ACHEALDH1A1HPGDRAB9A
SCHEMBL32678641 0.76 EPHX1 (0.44) EPHX1ACHEALDH1A1HPGDRAB9A
SCHEMBL32678640 0.76 EPHX1 (0.44) EPHX1ACHEALDH1A1HPGDRAB9A

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
EP-4077283-A1 PROGRANULIN MODULATORS AND METHODS OF USING THE SAME Arkuda Therapeutics (US) 2022-10-26 EP disclosed