SCHEMBL11516367

SCHEMBL11516367

NC(=O)c1[c]cccc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
MAPT P10636 3/20 0.45
HSD17B10 Q99714 3/20 0.45
TSHR P16473 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
HTR2B P41595 1/20 0.36
PIM1 P11309 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
PARP1 P09874 2/20 0.34
POLB P06746 2/20 0.34
CYP3A4 P08684 2/20 0.34
RECQL P46063 2/20 0.34
BLM P54132 2/20 0.34
PMP22 Q01453 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
CYP2C19 P33261 1/20 0.34
CA1 P00915 3/20 0.33
CA9 Q16790 3/20 0.33
CA12 O43570 3/20 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
SCHEMBL10482945 0.83 KDM4E (0.45) KDM4EMAPTHSD17B10TSHRALDH1A1
SCHEMBL1191220 0.80 CA2 (0.44) KDM4EMAPTHSD17B10TSHRALDH1A1
SCHEMBL6987504 0.78 F2 (0.34) KDM4EMAPTHSD17B10TSHRALDH1A1
SCHEMBL8979738 0.78 CYP3A4 (0.38) KDM4EMAPTHSD17B10TSHRALDH1A1
SCHEMBL3980869 0.77 CES2 (0.37) MAPTHSD17B10TSHRALDH1A1PIM1
SCHEMBL10822473 0.77 PARP1 (0.35) KDM4EMAPTHSD17B10TSHRALDH1A1
SCHEMBL27989848 0.74 GAA (0.36) KDM4EHSD17B10TSHRALDH1A1HPGD
SCHEMBL7471896 0.74 CA1 (0.53) KDM4EMAPTHSD17B10TSHRALDH1A1
SCHEMBL2934781 0.74 ALDH1A1 (0.48) KDM4EMAPTTSHRALDH1A1HPGD
SCHEMBL17977340 0.72 MAOB (0.38) ALDH1A1HPGDL3MBTL1PARP1POLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4137325-A Antisecretory oxamic acid esters AMERICAN HOME PRODUCTS CORPORATION (US) 1979-01-30 US claimed
CN-1104192-C Process for producing pesticidal composition HOECHST SCHERING AGREVO GMBH (DE) 2003-04-02 CN disclosed
CN-1146710-A Method for producing pesticide composition HOECHST SCHERING AGREVO GMBH (DE) 1997-04-02 CN disclosed
US-4161530-A CYCLIC SUBSTITUTED AMINO ALCOHOL BETA-RECEPTOR-BLOCKING AGENT AND TRYPTOPHANE CIBA-GEIGY CORPORATION (US) 1979-07-17 US disclosed
US-4137325-A Antisecretory oxamic acid esters AMERICAN HOME PRODUCTS CORPORATION (US) 1979-01-30 US disclosed