SCHEMBL9751080

SCHEMBL9751080

CCCCCOCC(O)CN1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
USP2 O75604 2/20 0.57
KDM4E B2RXH2 2/20 0.57
ALOX15 P16050 1/20 0.57
HTT P42858 2/20 0.51
KMT2A Q03164 4/20 0.50
MEN1 O00255 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
ATM Q13315 1/20 0.47
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 1/20 0.46
POLB P06746 1/20 0.46
LPAR5 Q9H1C0 1/20 0.45
TSHR P16473 1/20 0.44
HIF1A Q16665 1/20 0.44
GAA P10253 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ACE2 Q9BYF1 1/20 0.43

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
SCHEMBL23673724 0.86 USP2 (0.71) ALDH1A1USP2KDM4EALOX15HTT
SCHEMBL8394063 0.86 USP2 (0.71) ALDH1A1USP2KDM4EALOX15HTT
SCHEMBL3489641 0.85 USP2 (0.47) ALDH1A1USP2KDM4EALOX15HTT
SCHEMBL3489634 0.85 USP2 (0.47) ALDH1A1USP2KDM4EALOX15HTT
SCHEMBL11125930 0.84 SMN1; SMN2 (0.55) ALDH1A1USP2KDM4EALOX15HTT
SCHEMBL11154511 0.84 KDM4E (0.58) ALDH1A1USP2KDM4EALOX15HTT
SCHEMBL11153413 0.83 SMN1; SMN2 (0.54) ALDH1A1USP2KDM4EALOX15HTT
SCHEMBL11151192 0.83 LMNA (0.57) ALDH1A1USP2KDM4EALOX15HTT
SCHEMBL8200273 0.83 SMN1; SMN2 (0.54) ALDH1A1USP2KDM4EALOX15HTT
SCHEMBL8193195 0.83 HTT (0.59) ALDH1A1USP2KDM4EALOX15HTT

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-5036077-A Antiseptics, preservatives, drugs, cosmetics, foods SANOFI (FR) 1991-07-30 US disclosed