SCHEMBL24935704

SCHEMBL24935704

CC#CC1CCN(C(C)=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.42
EPHX1 P07099 3/20 0.42
CYP1A2 P05177 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
QDPR P09417 1/20 0.38
PIK3CD O00329 1/20 0.34
CASP6 P55212 1/20 0.34
GFER P55789 1/20 0.34

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
SCHEMBL27195367 0.83 LPAR5 (0.32)
SCHEMBL17470944 0.82 CHRNB2 (0.35) CYP1A2TDP1
SCHEMBL24435489 0.82 EPHX2 (0.41) EPHX2EPHX1CYP1A2TDP1KDM4E
SCHEMBL23710944 0.79 EPHX2 (0.46) EPHX2EPHX1
SCHEMBL23509414 0.79 PIK3CD (0.39) EPHX2EPHX1CYP1A2TDP1KDM4E
SCHEMBL19498073 0.79 EPHX2 (0.41) EPHX2EPHX1CYP1A2TDP1KDM4E
SCHEMBL17624387 0.79 EPHX1 (0.40) EPHX1CYP1A2
SCHEMBL57711 0.78 CYP1A2 (0.44) EPHX2EPHX1CYP1A2TDP1KDM4E
SCHEMBL2600219 0.77 ALDH1A1 (0.36) EPHX2EPHX1KDM4E
SCHEMBL6107767 0.77 EPHX2 (0.43) EPHX2EPHX1CYP1A2TDP1KDM4E

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-4119546-A1 BIFUNCTIONAL COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF Suzhou Kintor Pharmaceuticals, Inc. (CN) 2023-01-18 EP disclosed