SCHEMBL7185381

SCHEMBL7185381

O=C(O)c1ccc(Sc2cccc3ccccc23)c2c(C(=O)O)cccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.57
NR4A2 P43354 1/20 0.57
NR4A3 Q92570 1/20 0.57
PKM P14618 2/20 0.51
RAB9A P51151 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CDC25B P30305 1/20 0.47
WDR5 P61964 1/20 0.46
LDHA P00338 1/20 0.45
HSD17B10 Q99714 1/20 0.44
RECQL P46063 2/20 0.43
LMNA P02545 1/20 0.43
KDM4E B2RXH2 4/20 0.43
HPGD P15428 1/20 0.43
POLB P06746 2/20 0.42
TYMS P04818 1/20 0.41

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
SCHEMBL7535327 0.88 NR4A1 (0.59) NR4A1NR4A2NR4A3PKMRAB9A
SCHEMBL5659496 0.84 NR4A1 (0.63) NR4A1NR4A2NR4A3PKMRAB9A
SCHEMBL8528173 0.75 SIRT1 (0.49) NR4A1NR4A2NR4A3PKMRAB9A
Naphthoic Acid SCHEMBL29352220 0.75 NR4A1 (1.00) NR4A1NR4A2NR4A3ALDH1A1SMN1; SMN2
SCHEMBL31401789 0.75 NR4A1 (0.61) NR4A1NR4A2NR4A3RAB9ARXFP1
Naphthoic Acid SCHEMBL30233567 0.75 NR4A1 (1.00) NR4A1NR4A2NR4A3ALDH1A1SMN1; SMN2
SCHEMBL29904701 0.75 NR4A1 (0.61) NR4A1NR4A2NR4A3RAB9ARXFP1
SCHEMBL2830679 0.75 NR4A1 (0.61) NR4A1NR4A2NR4A3RAB9ARXFP1
Naphthoic Acid SCHEMBL17258 0.75 NR4A1 (1.00) NR4A1NR4A2NR4A3ALDH1A1SMN1; SMN2
Naphthoic Acid SCHEMBL28110155 0.75 NR4A1 (1.00) NR4A1NR4A2NR4A3ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1304924-A2 COMPOSITIONS FOR REPELLING CRAWLING INSECTS Bayer Aktiengesellschaft (DE) 2003-05-02 EP disclosed
WO-2002005646-A2 COMPOSITIONS FOR REPELLING CRAWLING INSECTS S.C. JOHNSON & SON, INC. (US) (US) 2002-01-24 WO disclosed