SCHEMBL11400930

SCHEMBL11400930

CC(=O)Nc1cc2c(c(C(=O)NCCCN3CCCCC3)c1NC(C)=O)OCCO2

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 2/20 0.40
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 3/20 0.39
KMT2A Q03164 2/20 0.39
ALOX15 P16050 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ATM Q13315 1/20 0.39
HTR4 Q13639 1/20 0.39
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38
SLC29A1 Q99808 1/20 0.38

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
SCHEMBL11264951 0.77 HSD17B10 (0.39) HPGDTSHRALDH1A1KDM4EHSD17B10
SCHEMBL11273592 0.73 KDM4E (0.52) HPGDALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL11397116 0.68 HPGD (0.58) HPGDALDH1A1HSD17B10HTR4
SCHEMBL14430683 0.68 NPSR1 (0.53) HPGDL3MBTL1TSHRALDH1A1KDM4E
Hydrochloric Acid SCHEMBL11263860 0.68 HPGD (0.57) HPGDALDH1A1HSD17B10HTR4
SCHEMBL14430706 0.67 NAMPT (0.67) L3MBTL1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL14430680 0.66 SMYD2 (0.60) HPGDL3MBTL1KDM4EKMT2A
SCHEMBL8761519 0.66 SMN1; SMN2 (0.52) L3MBTL1ALDH1A1KDM4ESMN1; SMN2ACHE
SCHEMBL13453975 0.66 SMN1; SMN2 (0.52) L3MBTL1ALDH1A1KDM4ESMN1; SMN2ACHE
SCHEMBL5473935 0.65 HPGD (0.66) HPGDL3MBTL1TSHRALDH1A1KMT2A

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-4255580-A TREATMENT OF PSYCHOLOGICAL DISORDERS SIOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1981-03-10 US claimed