SCHEMBL9822641

SCHEMBL9822641

CCCCOC(=O)NC(CC(O)CO)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.39
PLA2G2C Q5R387 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
KMT2A Q03164 1/20 0.37
RELA Q04206 1/20 0.37
EPHX1 P07099 3/20 0.36
EPHX2 P34913 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
ACE P12821 2/20 0.35
ACE2 Q9BYF1 2/20 0.35

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
SCHEMBL9823551 0.86 TSHR (0.40) HRH3TSHRSMN1; SMN2NPC1TP53
SCHEMBL7442036 0.84 HRH3 (0.37) HRH3TSHRSMN1; SMN2NPC1TP53
SCHEMBL10557110 0.81 HRH3 (0.39) HRH3TSHRSMN1; SMN2NPC1TP53
SCHEMBL3655319 0.81 HRH3 (0.41) HRH3TSHRSMN1; SMN2NPC1TP53
SCHEMBL8325170 0.80 HRH3 (0.44) HRH3TSHRSMN1; SMN2NPC1TP53
SCHEMBL5503198 0.79 HRH3 (0.39) HRH3TSHRSMN1; SMN2EPHX1GAA
SCHEMBL4800510 0.79 PLA2G2C (0.40) HRH3PLA2G2CTSHRSMN1; SMN2MAPT
SCHEMBL9822667 0.79 ALDH1A1 (0.41) HRH3TSHRSMN1; SMN2NPC1TP53
SCHEMBL4803328 0.79 PLA2G2C (0.40) HRH3PLA2G2CTSHRSMN1; SMN2MAPT
SCHEMBL13387471 0.78 HRH3 (0.46) HRH3TSHRSMN1; SMN2NPC1TP53

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-5036051-A Renin inhibitors ABBOTT LABORATORIES (US) 1991-07-30 US disclosed