SCHEMBL11399400

SCHEMBL11399400

O=C(O)CCCCCCC(NCCC(=O)c1cccs1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.64
HDAC1 Q13547 2/20 0.50
ALDH1A1 P00352 7/20 0.48
LMNA P02545 4/20 0.48
POLB P06746 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
ERCC5 P28715 1/20 0.43
FEN1 P39748 1/20 0.43
GSK3B P49841 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
TSHR P16473 2/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HDAC3 O15379 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL4881536 0.81 HPGD (0.57) HPGDHDAC1ALDH1A1RAB9ATSHR
SCHEMBL5179083 0.80 HPGD (1.00) HPGDHDAC1ALDH1A1LMNAPOLB
SCHEMBL3383085 0.80 HPGD (1.00) HPGDHDAC1ALDH1A1LMNAPOLB
SCHEMBL2415331 0.78 HPGD (0.96) HPGDHDAC1ALDH1A1LMNAPOLB
SCHEMBL11092658 0.78 LMNA (0.47) HPGDHDAC1ALDH1A1LMNAPOLB
SCHEMBL5179130 0.75 HPGD (0.90) HPGDHDAC1ALDH1A1LMNAPOLB
SCHEMBL27643228 0.72 HPGD (0.63) HPGDHDAC1ALDH1A1LMNAPOLB
SCHEMBL759462 0.72 ALDH1A1 (0.84) HPGDHDAC1ALDH1A1LMNAPOLB
Bromide SCHEMBL11446589 0.71 MAPT (0.60) HDAC1LMNATSHRMAPK1HDAC3
SCHEMBL14088974 0.71 KDM4E (0.73) HPGDHDAC1ALDH1A1NPC1RAB9A

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-4262128-A HAVING PROSTAGLANDIN-LIKE BIOLOGICAL PROPERTIES BURROUGHS WELLCOME CO. (US) 1981-04-14 US disclosed