SCHEMBL25848647

SCHEMBL25848647

CCCCNC(=O)C(C)(C)O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.53
ACHE P22303 8/20 0.47
MMP2 P08253 2/20 0.47
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
MMP1 P03956 1/20 0.42

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
SCHEMBL8237341 0.86 KDM4C (0.47) EPHX1MMP2ALDH1A1POLBSMN1; SMN2
SCHEMBL10765973 0.84 EPHX1 (0.55) EPHX1ACHEMMP2ALDH1A1POLB
SCHEMBL2736685 0.84 EPHX1 (0.55) EPHX1ACHEMMP2ALDH1A1POLB
SCHEMBL28180263 0.83 EPHX1 (0.50) EPHX1ACHEMMP2ALDH1A1POLB
SCHEMBL8394868 0.80 EPHX1 (0.52) EPHX1ACHEMMP2ALDH1A1POLB
SCHEMBL5021617 0.80 EPHX1 (0.52) EPHX1ACHEMMP2ALDH1A1POLB
SCHEMBL14399362 0.80 EPHX1 (0.62) EPHX1ACHEMMP2ALDH1A1POLB
SCHEMBL22351756 0.80 EPHX1 (0.52) EPHX1ACHEMMP2ALDH1A1POLB
SCHEMBL10251931 0.80 EPHX1 (0.62) EPHX1ACHEMMP2ALDH1A1POLB
SCHEMBL9499965 0.80 PAOX (0.47) EPHX1ALDH1A1POLBSMN1; SMN2

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-2023131122-A1 FUSED RING-SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2023-07-13 WO disclosed