SCHEMBL28046212

SCHEMBL28046212

CCC(=O)N1CCCCC1c1ccc(O)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
RIPK1 Q13546 2/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
EPHX2 P34913 1/20 0.41
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40
CPT1A P50416 2/20 0.40
CPT1B Q92523 2/20 0.40
CPT2 P23786 1/20 0.40
HSD11B1 P28845 2/20 0.40
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL27831765 0.87 RIPK1 (0.58) HSP90AA1HSP90AB1RIPK1TMEM97SIGMAR1
SCHEMBL28105771 0.82 RIPK1 (0.47) RIPK1EPHX2MEN1TSHRHTT
SCHEMBL12964250 0.82 RIPK1 (0.64) HSP90AA1HSP90AB1RIPK1EPHX2MEN1
SCHEMBL14569542 0.81 RIPK1 (0.49) HSP90AA1HSP90AB1RIPK1EPHX2MEN1
Hydrochloric Acid SCHEMBL27412469 0.81 RIPK1 (0.62) HSP90AA1HSP90AB1RIPK1EPHX2MEN1
SCHEMBL14611031 0.79 RIPK1 (0.47) HSP90AA1HSP90AB1RIPK1TMEM97SIGMAR1
SCHEMBL11462430 0.78 RIPK1 (0.46) RIPK1KMT2ACPT1A
SCHEMBL23646472 0.77 RIPK1 (0.48) HSP90AA1HSP90AB1RIPK1TMEM97SIGMAR1
SCHEMBL21611486 0.77 RIPK1 (0.48) HSP90AA1HSP90AB1RIPK1TMEM97SIGMAR1
SCHEMBL14610872 0.77 HRH3 (0.48) RIPK1EPHX2MEN1KMT2ALMNA

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-103209969-B Functionalized anti-fouling compound and uses thereof AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-11-25 CN disclosed