SCHEMBL13549321

SCHEMBL13549321

O=C(NCC1CCN(C(=O)C(F)(F)F)CC1)C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.59
EPHX2 P34913 5/20 0.59
CKS1B P61024 1/20 0.44
SKP1 P63208 1/20 0.44
SKP2 Q13309 1/20 0.44
KDM1A O60341 1/20 0.38
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
MLYCD O95822 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL9431190 0.82 TDP1 (0.52) EPHX1CKS1BSKP1SKP2ALDH1A1
SCHEMBL3324608 0.81 CKS1B (0.43) EPHX1EPHX2CKS1BSKP1SKP2
SCHEMBL3218529 0.81 CKS1B (0.43) EPHX1EPHX2CKS1BSKP1SKP2
SCHEMBL11909488 0.81 CKS1B (0.43) EPHX1EPHX2CKS1BSKP1SKP2
SCHEMBL6403172 0.79 KDM4E (0.60) EPHX1KDM1ASMN1; SMN2KDM4EPKM
SCHEMBL3381027 0.78 HDAC6 (0.53) EPHX1CKS1BSKP1SKP2ALDH1A1
SCHEMBL3383177 0.78 HDAC6 (0.49) EPHX1CKS1BSKP1SKP2ALDH1A1
SCHEMBL3522643 0.78 CKS1B (0.43) EPHX1EPHX2CKS1BSKP1SKP2
SCHEMBL4577744 0.77 EPHX1 (0.48) EPHX1EPHX2KDM1A
SCHEMBL4577748 0.77 EPHX1 (0.48) EPHX1EPHX2KDM1A

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
US-7645774-B2 Cannabinoid receptor ligands SCHERING CORPORATION (US) 2010-01-12 US disclosed