SCHEMBL11265059

SCHEMBL11265059

CCCSc1ccc(C(=O)O)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
ALDH1A1 P00352 2/20 0.51
KMT2A Q03164 2/20 0.51
HIF1A Q16665 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPT P10636 1/20 0.51
PKM P14618 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
NFKB1 P19838 1/20 0.51
THPO P40225 1/20 0.51
BLM P54132 1/20 0.51
PMP22 Q01453 1/20 0.51
P4HTM Q9NXG6 13/20 0.46
P4HA1 P13674 1/20 0.46

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
SCHEMBL11377837 0.90 KDM4E (0.56) KDM4EL3MBTL1ALDH1A1KMT2AHIF1A
SCHEMBL11270225 0.88 TSHR (0.54) KDM4EL3MBTL1ALDH1A1KMT2AHIF1A
SCHEMBL1403482 0.86 KDM4E (0.50) KDM4EL3MBTL1ALDH1A1KMT2AHIF1A
SCHEMBL11377328 0.83 MAPK1 (0.53) KDM4EL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL10931678 0.82 P4HTM (0.44) KDM4EL3MBTL1ALDH1A1KMT2AHIF1A
SCHEMBL28022486 0.79 P4HTM (0.44) KDM4EL3MBTL1ALDH1A1KMT2AHIF1A
SCHEMBL4331572 0.77 P4HTM (0.53) KDM4EL3MBTL1ALDH1A1KMT2AHIF1A
SCHEMBL2743888 0.75 P4HTM (0.53) KDM4EL3MBTL1ALDH1A1KMT2AHIF1A
SCHEMBL11280277 0.75 P4HTM (0.45) KDM4EL3MBTL1ALDH1A1KMT2AHIF1A
SCHEMBL11671608 0.74 MAPK1 (0.50) KDM4EL3MBTL1ALDH1A1KMT2AHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0066242-A1 Tocopheryl ester of 5-substituted picolinic acid, process for its production, and pharmaceutical composition containing it BANYU PHARMACEUTICAL CO., LTD. (JP) 1982-12-08 EP claimed
US-4260620-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1981-04-07 US disclosed
US-4197302-A HYPOTENSIVE AGENTS, 5-ETHERIFIED, ALSO ESTERS, AMIDES, HYDRAZIDES CIBA-GEIGY CORPORATION (US) 1980-04-08 US disclosed