SCHEMBL27337149

SCHEMBL27337149

C1CCC(NC2CCCCC2)CC1.CCCC(SC(C)=O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
THRB P10828 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
EPHX1 P07099 3/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.35
ACE P12821 1/20 0.34
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL27523629 0.89 THRB (0.42) SMN1; SMN2THRBATML3MBTL1EPHX1
SCHEMBL1101398 0.82 EPHX1 (0.39) SMN1; SMN2THRBATML3MBTL1EPHX1
SCHEMBL27335896 0.82 LTA4H (0.36) SMN1; SMN2THRBATML3MBTL1EPHX1
SCHEMBL1101396 0.82 EPHX1 (0.39) SMN1; SMN2THRBATML3MBTL1EPHX1
SCHEMBL6889610 0.80 CHRM1 (0.46)
SCHEMBL6889603 0.80 CHRM1 (0.46)
SCHEMBL7546509 0.77 EPHX2 (0.46) SMN1; SMN2EPHX1ALDH1A1KDM4EACE
SCHEMBL16099214 0.76 SMN1; SMN2 (0.51) SMN1; SMN2THRBATML3MBTL1EPHX1
SCHEMBL6897337 0.71 LTA4H (0.38)
SCHEMBL6897332 0.71 LTA4H (0.38)

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
CN-1046525-C Compounds containing a fused bicyclic ring and processes therefor BRISTOL MYERS SQUIBB CO (US) 1999-11-17 CN disclosed